Match comparison for Kinetic energy (match type 12858)

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
9.517203609999999e+00 4.760000000000000e-07 9.517203591153846e+00 5.976408222421473e-08 9.517203605000001e+00 6.500000004905360e-08 PASS

Checks for this match

  • MPI builders have different values.
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Detailed information

Reference: 9.51720361, precision: 0.000000476
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
spack_foss-2022a_ppc 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
cmake_foss_2022a_min_serial 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
cmake_foss_2022a_min_mpi 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
cmake_foss_2022a_full_mpi 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
spack_foss-2022a_mpi_min 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
spack_foss-2022a_mpi 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
spack_foss-2022a_serial 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
spack_foss-2022a_serial_min 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
spack_foss-2023a_mpi 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
spack_foss-2023a_mpi_min 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
spack_foss-2023a_serial_min 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
spack_foss-2023a_serial 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
spack_foss-2023a_mpi_opt 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
spack_foss-2023a_mpi_debug 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
spack_foss-2023a_serial_opt 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
spack_foss-2023b_serial 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
spack_foss-2023a_serial_debug 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
spack_foss-2023a_serial_omp 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
spack_intel-2022a_serial_omp 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
spack_foss-2023a_mpi_omp 9.517203670000001e+00 6.000000141170858e-08 1.260504231338416e-01 PASS
spack_intel-2023a_serial 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
spack_intel-2023a_impi 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
spack_intel-2023a_serial_omp 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS
spack_intel-2022a_impi_omp 9.517203660000000e+00 5.000000058430487e-08 1.050420180342539e-01 PASS
spack_foss-2022a_cuda_serial 9.517203540000001e+00 -6.999999868639861e-08 -1.470588207697450e-01 PASS