Match comparison for Stress (31) (match type 29822)

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Input 22-vdw_d3_stress.01-Be_hpc.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.239596280000000e-19 2.430000000000000e-18 -2.097633891645833e-18 1.523504167968211e-18 -1.303650312300000e-18 1.946266023700000e-18 FAIL

Checks for this match

  • Precision seems large and value close to zero. Should value be 0?
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: -0.000000000000000000323959628, precision: 0.00000000000000000243
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -3.249916336000000e-18 -2.925956708000000e-18 -1.204097410699588e+00 FAIL
cmake_foss_2022a_full_mpi -3.168869076000000e-18 -2.844909448000000e-18 -1.170744628806584e+00 FAIL
cmake_foss_2022a_min_serial -3.249916336000000e-18 -2.925956708000000e-18 -1.204097410699588e+00 FAIL
cmake_foss_2022a_min_mpi -3.168869076000000e-18 -2.844909448000000e-18 -1.170744628806584e+00 FAIL
spack_foss-2022a_serial_min -3.249916336000000e-18 -2.925956708000000e-18 -1.204097410699588e+00 FAIL
spack_foss-2022a_serial -3.249916336000000e-18 -2.925956708000000e-18 -1.204097410699588e+00 FAIL
spack_foss-2022a_mpi_min -3.168869076000000e-18 -2.844909448000000e-18 -1.170744628806584e+00 FAIL
spack_foss-2022a_mpi -3.168869076000000e-18 -2.844909448000000e-18 -1.170744628806584e+00 FAIL
spack_foss-2023a_mpi_min -3.168869076000000e-18 -2.844909448000000e-18 -1.170744628806584e+00 FAIL
spack_foss-2023a_mpi -3.168869076000000e-18 -2.844909448000000e-18 -1.170744628806584e+00 FAIL
spack_foss-2023a_serial -3.249916336000000e-18 -2.925956708000000e-18 -1.204097410699588e+00 FAIL
spack_foss-2023a_mpi_opt -3.168869076000000e-18 -2.844909448000000e-18 -1.170744628806584e+00 FAIL
spack_foss-2023a_serial_min -3.249916336000000e-18 -2.925956708000000e-18 -1.204097410699588e+00 FAIL
spack_foss-2023a_serial_opt -3.249916336000000e-18 -2.925956708000000e-18 -1.204097410699588e+00 FAIL
spack_foss-2023a_serial_omp -4.225297912000000e-19 -9.857016320000000e-20 -4.056385316872427e-02 PASS
spack_foss-2023a_mpi_omp -1.995947031000000e-18 -1.671987403000000e-18 -6.880606596707818e-01 PASS
spack_foss-2023b_serial -3.249916336000000e-18 -2.925956708000000e-18 -1.204097410699588e+00 FAIL
spack_intel-2022a_serial_omp -2.917278995000000e-19 3.223172850000001e-20 1.326408580246914e-02 PASS
spack_intel-2023a_serial -1.029826067000000e-18 -7.058664390000000e-19 -2.904800160493827e-01 PASS
spack_intel-2023a_serial_omp 6.426157114000000e-19 9.665753394000000e-19 3.977676293827160e-01 PASS
spack_intel-2023a_impi 4.475094297000000e-19 7.714690577000001e-19 3.174769784773663e-01 PASS
spack_foss-2022a_cuda_mpi_omp 4.003074460000000e-19 7.242670740000001e-19 2.980522938271605e-01 PASS
spack_foss-2022a_cuda_serial -4.219966494000000e-19 -9.803702139999997e-20 -4.034445325102879e-02 PASS
spack_intel-2022a_impi_omp 5.097956715000000e-19 8.337552995000000e-19 3.431091767489712e-01 PASS