Match comparison for Fx (H) (t=200 au) (match type 17053)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.710019608717000e-03 1.000000000000000e-04 -8.710019608345620e-03 1.038309657429293e-13 -8.710019608377348e-03 1.561112350501048e-13 PASS

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Detailed information

Reference: -0.008710019608717, precision: 0.0001
Run Value Difference Relative difference Status
spack_foss-2022a_serial_opt -8.710019608307112e-03 4.098874017977039e-13 4.098874017977039e-09 PASS
spack_foss-2022a_serial -8.710019608307112e-03 4.098874017977039e-13 4.098874017977039e-09 PASS
spack_foss-2022a_ppc -8.710019608221237e-03 4.957631527524597e-13 4.957631527524597e-09 PASS
spack_intel-2022a_serial_omp -8.710019608359182e-03 3.578179419427840e-13 3.578179419427840e-09 PASS
spack_foss-2022a_cuda_serial -8.710019608533459e-03 1.835406826522501e-13 1.835406826522501e-09 PASS