Match comparison for Fz (H) (t=200 au) (match type 17052)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.530246916375000e-03 1.000000000000000e-04 4.530246916157945e-03 1.384361959250864e-13 4.530246916284432e-03 2.751895933350568e-13 PASS

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Detailed information

Reference: 0.004530246916375, precision: 0.0001
Run Value Difference Relative difference Status
spack_foss-2022a_serial 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
spack_foss-2023a_serial 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
cmake_foss_2022a_full_serial 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
spack_foss-2022a_ppc 4.530246916559622e-03 1.846214153777836e-13 1.846214153777836e-09 PASS
cmake_foss_2022a_full_mpi 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
spack_foss-2022a_cuda_serial 4.530246916121181e-03 -2.538195348344985e-13 -2.538195348344985e-09 PASS
spack_foss-2023a_serial_opt 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
spack_foss-2023b_serial 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
spack_foss-2023a_serial_omp 4.530246916169545e-03 -2.054554443242651e-13 -2.054554443242651e-09 PASS
spack_intel-2023a_serial 4.530246916009242e-03 -3.657577712923299e-13 -3.657577712923299e-09 PASS
spack_intel-2022a_serial_omp 4.530246916009242e-03 -3.657577712923299e-13 -3.657577712923299e-09 PASS
spack_intel-2023a_serial_omp 4.530246916009242e-03 -3.657577712923299e-13 -3.657577712923299e-09 PASS