Match comparison for Stress (23) (match type 29820)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-5.492114310000000e-19 2.700000000000000e-18 1.137081723129167e-19 1.251291172886725e-18 -1.016709526000000e-18 2.870280084000000e-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: -0.00000000000000000054921143100000005, precision: 0.0000000000000000027
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 1.130152206000000e-18 1.679363637000000e-18 6.219865322222222e-01 PASS
cmake_foss_2022a_full_mpi -7.502425177000000e-20 4.741871792300000e-19 1.756248811962963e-01 PASS
cmake_foss_2022a_min_serial 1.130152206000000e-18 1.679363637000000e-18 6.219865322222222e-01 PASS
cmake_foss_2022a_min_mpi -7.502425177000000e-20 4.741871792300000e-19 1.756248811962963e-01 PASS
spack_foss-2022a_serial_min 1.130152206000000e-18 1.679363637000000e-18 6.219865322222222e-01 PASS
spack_foss-2022a_serial 1.130152206000000e-18 1.679363637000000e-18 6.219865322222222e-01 PASS
spack_foss-2022a_mpi_min -7.502425177000000e-20 4.741871792300000e-19 1.756248811962963e-01 PASS
spack_foss-2022a_mpi -7.502425177000000e-20 4.741871792300000e-19 1.756248811962963e-01 PASS
spack_foss-2023a_mpi_min -7.502425177000000e-20 4.741871792300000e-19 1.756248811962963e-01 PASS
spack_foss-2023a_mpi -7.502425177000000e-20 4.741871792300000e-19 1.756248811962963e-01 PASS
spack_foss-2023a_serial 1.130152206000000e-18 1.679363637000000e-18 6.219865322222222e-01 PASS
spack_foss-2023a_mpi_opt -7.502425177000000e-20 4.741871792300000e-19 1.756248811962963e-01 PASS
spack_foss-2023a_serial_min 1.130152206000000e-18 1.679363637000000e-18 6.219865322222222e-01 PASS
spack_foss-2023a_serial_opt 1.130152206000000e-18 1.679363637000000e-18 6.219865322222222e-01 PASS
spack_foss-2023a_serial_omp -1.528024830000000e-18 -9.788133989999998e-19 -3.625234811111110e-01 PASS
spack_foss-2023a_mpi_omp -2.295873892000000e-18 -1.746662461000000e-18 -6.469120225925925e-01 PASS
spack_foss-2023b_serial 1.130152206000000e-18 1.679363637000000e-18 6.219865322222222e-01 PASS
spack_intel-2022a_serial_omp 2.424455369000000e-19 7.916569679000000e-19 2.932062844074074e-01 PASS
spack_intel-2023a_serial -3.886989610000000e-18 -3.337778179000000e-18 -1.236214140370370e+00 FAIL
spack_intel-2023a_serial_omp -4.522122336000000e-19 9.699919740000007e-20 3.592562866666670e-02 PASS
spack_intel-2023a_impi -2.721090634000000e-19 2.771023676000000e-19 1.026305065185185e-01 PASS
spack_foss-2022a_cuda_mpi_omp -4.276367171000000e-19 1.215747139000001e-19 4.502767181481484e-02 PASS
spack_foss-2022a_cuda_serial 1.853570558000000e-18 2.402781989000000e-18 8.899192551851853e-01 PASS
spack_intel-2022a_impi_omp 9.797785011000000e-19 1.528989932100000e-18 5.662925674444446e-01 PASS