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

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
8.710019608157000e-03 1.000000000000000e-04 8.710019608331232e-03 6.858285728128342e-14 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 8.710019608307140e-03 1.501403168457927e-13 1.501403168457927e-09 PASS
spack_foss-2023a_serial 8.710019608307140e-03 1.501403168457927e-13 1.501403168457927e-09 PASS
cmake_foss_2022a_full_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
cmake_foss_2022a_full_mpi 8.710019608307140e-03 1.501403168457927e-13 1.501403168457927e-09 PASS
spack_foss-2022a_cuda_serial 8.710019608525937e-03 3.689375194237954e-13 3.689375194237954e-09 PASS
spack_foss-2023a_serial_opt 8.710019608307140e-03 1.501403168457927e-13 1.501403168457927e-09 PASS
spack_foss-2023b_serial 8.710019608307140e-03 1.501403168457927e-13 1.501403168457927e-09 PASS
spack_foss-2023a_serial_omp 8.710019608307140e-03 1.501403168457927e-13 1.501403168457927e-09 PASS
spack_intel-2023a_serial 8.710019608359237e-03 2.022375322763281e-13 2.022375322763281e-09 PASS
spack_intel-2022a_serial_omp 8.710019608359237e-03 2.022375322763281e-13 2.022375322763281e-09 PASS
spack_intel-2023a_serial_omp 8.710019608359237e-03 2.022375322763281e-13 2.022375322763281e-09 PASS