Match comparison for Fx (H) (t=200 au) (match type 17050)

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

General information

Reference	Precision	Mean	Standard deviation	Midpoint	Half width	Status
8.710019608157000e-03	1.000000000000000e-04	8.710019608344121e-03	1.011354472691695e-13	8.710019608373545e-03	1.523919879176105e-13	PASS

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Detailed information

Reference: 0.008710019608157, precision: 0.0001

Run	Value	Difference	Relative difference	Status
spack_foss-2022a_serial_opt	8.710019608307140e-03	1.501403168457927e-13	1.501403168457927e-09	PASS
spack_foss-2022a_serial	8.710019608307140e-03	1.501403168457927e-13	1.501403168457927e-09	PASS
spack_foss-2022a_ppc	8.710019608221153e-03	6.415354358857428e-14	6.415354358857428e-10	PASS
spack_intel-2022a_serial_omp	8.710019608359237e-03	2.022375322763281e-13	2.022375322763281e-09	PASS
spack_foss-2022a_cuda_serial	8.710019608525937e-03	3.689375194237954e-13	3.689375194237954e-09	PASS