Match comparison for Force C1 (z) (match type 29548)

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > Input 12-vdw_solid_c6.02-gs_graphene.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.911449320000000e-15 4.460000000000000e-15 -5.054361029622223e-16 8.956647353846963e-16 -7.021876049999999e-16 2.192297615000000e-15 PASS

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: -0.00000000000000191144932, precision: 0.00000000000000446
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -3.327363240000000e-16 1.578712996000000e-15 3.539715237668162e-01 PASS
spack_foss-2023a_serial_min -3.327363240000000e-16 1.578712996000000e-15 3.539715237668162e-01 PASS
spack_foss-2023a_serial_opt -3.327363240000000e-16 1.578712996000000e-15 3.539715237668162e-01 PASS
spack_foss-2022a_serial -3.327363240000000e-16 1.578712996000000e-15 3.539715237668162e-01 PASS
spack_foss-2023a_serial -3.327363240000000e-16 1.578712996000000e-15 3.539715237668162e-01 PASS
spack_foss-2023b_serial -3.327363240000000e-16 1.578712996000000e-15 3.539715237668162e-01 PASS
spack_foss-2022a_ppc -2.894485220000000e-15 -9.830358999999998e-16 -2.204116367713004e-01 PASS
spack_foss-2023a_mpi_min -1.014066240000000e-17 1.901308657600000e-15 4.263023895964125e-01 PASS
spack_foss-2022a_mpi_min -1.014066240000000e-17 1.901308657600000e-15 4.263023895964125e-01 PASS
spack_foss-2022a_cuda_serial -1.689427540000000e-15 2.220217800000001e-16 4.978066816143500e-02 PASS
spack_foss-2023a_serial_omp -4.345572980000000e-18 1.907103747020000e-15 4.276017370000000e-01 PASS
spack_foss-2023a_serial_debug -3.327363240000000e-16 1.578712996000000e-15 3.539715237668162e-01 PASS
spack_foss-2023a_mpi_opt -1.014066240000000e-17 1.901308657600000e-15 4.263023895964125e-01 PASS
spack_foss-2023a_mpi -1.014066240000000e-17 1.901308657600000e-15 4.263023895964125e-01 PASS
spack_foss-2022a_mpi -1.014066240000000e-17 1.901308657600000e-15 4.263023895964125e-01 PASS
spack_foss-2023a_mpi_debug -1.014066240000000e-17 1.901308657600000e-15 4.263023895964125e-01 PASS
spack_foss-2022a_cuda_mpi_omp -1.745453420000000e-15 1.659959000000001e-16 3.721881165919284e-02 PASS
spack_foss-2023a_mpi_omp -7.019614820000000e-16 1.209487838000000e-15 2.711856139013453e-01 PASS
cmake_foss_2022a_full_serial -3.327363240000000e-16 1.578712996000000e-15 3.539715237668162e-01 PASS
cmake_foss_2022a_min_serial -3.327363240000000e-16 1.578712996000000e-15 3.539715237668162e-01 PASS
cmake_foss_2022a_min_mpi -1.014066240000000e-17 1.901308657600000e-15 4.263023895964125e-01 PASS
cmake_foss_2022a_full_mpi -1.014066240000000e-17 1.901308657600000e-15 4.263023895964125e-01 PASS
spack_intel-2023a_serial -4.296901480000000e-17 1.868480305200000e-15 4.189417724663678e-01 PASS
spack_intel-2022a_serial_omp -4.463216750000000e-16 1.465127645000000e-15 3.285039562780269e-01 PASS
spack_intel-2022a_impi_omp -2.069759260000000e-15 -1.583099400000000e-16 -3.549550224215247e-02 PASS
spack_intel-2023a_serial_omp -2.466409390000000e-15 -5.549600699999998e-16 -1.244305089686098e-01 PASS
spack_intel-2023a_impi 1.490110010000000e-15 3.401559330000000e-15 7.626814641255606e-01 PASS