Match comparison for Fz (O) (t=200 au) (match type 17049)

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-9.060493832761000e-03 1.000000000000000e-04 -9.060493832540428e-03 4.020885709647821e-13 -9.060493832568892e-03 5.502681643676510e-13 PASS

Checks for this match

  • OpenMP builders have different values.
    • Intel® builders have different values.
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Detailed information

Reference: -0.009060493832761, precision: 0.0001
Run Value Difference Relative difference Status
spack_foss-2022a_serial_opt -9.060493832338840e-03 4.221605703902398e-13 4.221605703902398e-09 PASS
spack_foss-2022a_serial -9.060493832338840e-03 4.221605703902398e-13 4.221605703902398e-09 PASS
spack_foss-2022a_ppc -9.060493833119160e-03 -3.581596824675515e-13 -3.581596824675515e-09 PASS
spack_intel-2022a_serial_omp -9.060493832018623e-03 7.423766462677506e-13 7.423766462677506e-09 PASS
spack_foss-2022a_cuda_serial -9.060493832886679e-03 -1.256789811110437e-13 -1.256789811110437e-09 PASS