Match comparison for y (H) (t=200 au) (match type 17042)

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
6.025029371038001e-17 1.000000000000000e-04 8.737791491075176e-17 1.252452795909944e-16 -7.190561802904478e-17 2.249536959727979e-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: 0.00000000000000006025029371038, precision: 0.0001
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
spack_foss-2023a_serial 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
spack_foss-2022a_serial 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
spack_foss-2022a_ppc -2.968593140018426e-16 -3.571096077122226e-16 -3.571096077122226e-12 PASS
cmake_foss_2022a_full_mpi 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
spack_foss-2022a_cuda_serial 1.506134497285998e-16 9.036315601821984e-17 9.036315601821983e-13 PASS
spack_foss-2023a_serial_opt 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
spack_foss-2023b_serial 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
spack_foss-2023a_serial_omp 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
spack_intel-2023a_serial 4.114809919866403e-17 -1.910219451171598e-17 -1.910219451171598e-13 PASS
spack_intel-2022a_serial_omp 4.114809919866403e-17 -1.910219451171598e-17 -1.910219451171598e-13 PASS
spack_intel-2023a_serial_omp 4.114809919866403e-17 -1.910219451171598e-17 -1.910219451171598e-13 PASS