Match comparison for Fy (O) (t=200 au) (match type 17048)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.115290118012000e-16 1.000000000000000e-04 4.282358733158476e-17 1.079958546812548e-16 -6.089655659117316e-17 1.912165715179290e-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: -0.0000000000000001115290118012, precision: 0.0001
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
foss-2022a_ppc 6.834954152972877e-17 1.798785533309288e-16 1.798785533309288e-12 PASS
spack_foss-2022a_serial 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
foss-2022a_opt 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
intel-2022a 4.870162798325865e-18 1.163991745995259e-16 1.163991745995259e-12 PASS
cmake_foss_2022a_full_mpi 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
spack_foss-2022a_serial_omp 1.003854820155484e-17 1.215675600027548e-16 1.215675600027548e-12 PASS
foss-2022a_omp 1.003854820155484e-17 1.215675600027548e-16 1.215675600027548e-12 PASS
eb_fosscuda-2022a -7.126728967032094e-17 4.026172213087906e-17 4.026172213087906e-13 PASS
intel-2022a_omp 4.870162798325865e-18 1.163991745995259e-16 1.163991745995259e-12 PASS
eb_foss-2022a 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
eb_foss-2022b_libxc6 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
intel-2022b -2.521131281091021e-16 -1.405841163079021e-16 -1.405841163079021e-12 PASS