Match comparison for Fy (H) (t=200 au) (match type 17051)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.219451523246000e-17 1.000000000000000e-04 -8.273223959361763e-17 1.192029157976894e-16 1.322286852360942e-17 1.929281028421424e-16 PASS

Checks for this match

  • Precision seems large and value close to zero. Should value be 0?
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Detailed information

Reference: 0.00000000000000005219451523246, precision: 0.0001
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -1.644354260976919e-16 -2.166299413301519e-16 -2.166299413301519e-12 PASS
foss-2022a_ppc -1.797052343185330e-16 -2.318997495509930e-16 -2.318997495509929e-12 PASS
spack_foss-2022a_serial -1.644354260976919e-16 -2.166299413301519e-16 -2.166299413301519e-12 PASS
foss-2022a_opt -1.644354260976919e-16 -2.166299413301519e-16 -2.166299413301519e-12 PASS
intel-2022a -5.968889905428751e-17 -1.118834142867475e-16 -1.118834142867475e-12 PASS
cmake_foss_2022a_full_mpi -1.644354260976919e-16 -2.166299413301519e-16 -2.166299413301519e-12 PASS
spack_foss-2022a_serial_omp -6.882971805300210e-17 -1.210242332854621e-16 -1.210242332854621e-12 PASS
foss-2022a_omp -6.882971805300210e-17 -1.210242332854621e-16 -1.210242332854621e-12 PASS
eb_fosscuda-2022a 1.416849390364826e-16 8.949042380402265e-17 8.949042380402265e-13 PASS
intel-2022a_omp -5.968889905428751e-17 -1.118834142867475e-16 -1.118834142867475e-12 PASS
eb_foss-2022a -1.644354260976919e-16 -2.166299413301519e-16 -2.166299413301519e-12 PASS
eb_foss-2022b_libxc6 -1.644354260976919e-16 -2.166299413301519e-16 -2.166299413301519e-12 PASS
intel-2022b 2.061509713657518e-16 1.539564561332918e-16 1.539564561332918e-12 PASS