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

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.115290118012000e-16 1.000000000000000e-04 9.047273949199973e-17 5.525764185314922e-17 6.759508886254083e-17 6.272492606421497e-17 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: -0.0000000000000001115290118012, precision: 0.0001
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
cmake_foss_2022a_full_mpi 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
spack_intel-2023a_serial 4.870162798325865e-18 1.163991745995259e-16 1.163991745995259e-12 PASS
spack_intel-2022a_serial_omp 4.870162798325865e-18 1.163991745995259e-16 1.163991745995259e-12 PASS
spack_intel-2023a_serial_omp 4.870162798325865e-18 1.163991745995259e-16 1.163991745995259e-12 PASS
spack_foss-2022a_serial 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
spack_foss-2023a_serial 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
spack_foss-2023a_serial_opt 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
spack_foss-2023b_serial 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS
spack_foss-2022a_ppc 6.834954152972877e-17 1.798785533309288e-16 1.798785533309288e-12 PASS
spack_foss-2023a_serial_omp 1.303200149267558e-16 2.418490267279558e-16 2.418490267279558e-12 PASS