Match comparison for Eigenvalues sum (match type 12853)

Commits > Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.815925660000000e+00 2.410000000000000e-07 -4.815925660769230e+00 6.916663698048703e-08 -4.815925650000001e+00 7.000000001866624e-08 PASS

Checks for this match

  • MPI builders have different values.
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Detailed information

Reference: -4.8159256599999996, precision: 0.000000241
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
spack_foss-2023a_serial_min -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
spack_foss-2022a_serial -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
spack_foss-2023a_serial_opt -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
spack_foss-2023a_serial -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
spack_foss-2023b_serial -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
spack_foss-2022a_ppc -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
spack_foss-2023a_mpi_min -4.815925580000000e+00 7.999999951380232e-08 3.319502054514619e-01 PASS
spack_foss-2022a_mpi_min -4.815925580000000e+00 7.999999951380232e-08 3.319502054514619e-01 PASS
spack_foss-2023a_serial_omp -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
spack_foss-2023a_serial_debug -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
cmake_foss_2022a_full_mpi -4.815925580000000e+00 7.999999951380232e-08 3.319502054514619e-01 PASS
spack_foss-2023a_mpi_opt -4.815925580000000e+00 7.999999951380232e-08 3.319502054514619e-01 PASS
spack_foss-2022a_cuda_serial -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
spack_foss-2022a_mpi -4.815925580000000e+00 7.999999951380232e-08 3.319502054514619e-01 PASS
spack_foss-2023a_mpi -4.815925580000000e+00 7.999999951380232e-08 3.319502054514619e-01 PASS
spack_foss-2023a_mpi_debug -4.815925580000000e+00 7.999999951380232e-08 3.319502054514619e-01 PASS
spack_foss-2023a_mpi_omp -4.815925580000000e+00 7.999999951380232e-08 3.319502054514619e-01 PASS
cmake_foss_2022a_full_serial -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
cmake_foss_2022a_min_serial -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
cmake_foss_2022a_min_mpi -4.815925580000000e+00 7.999999951380232e-08 3.319502054514619e-01 PASS
spack_intel-2023a_serial -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
spack_intel-2022a_serial_omp -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
spack_intel-2023a_serial_omp -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
spack_intel-2023a_impi -4.815925580000000e+00 7.999999951380232e-08 3.319502054514619e-01 PASS
spack_intel-2022a_impi_omp -4.815925580000000e+00 7.999999951380232e-08 3.319502054514619e-01 PASS