Match comparison for Eigenvalues sum (match type 12853)

Commits > Commit 9c86d3f9e0672ab6f34186f0e6ca5b729d8f047e > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.815925660000000e+00 2.410000000000000e-07 -4.815925669600000e+00 6.720000001791960e-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
cmake_foss_2022a_full_serial -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
foss-2022a_ppc -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
spack_foss-2022a_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
foss-2022a_opt -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
intel-2022a -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-2022a_serial_omp -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
spack_foss-2022a_serial_debug -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
foss-2022a_omp -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
eb_fosscuda-2022a -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
intel-2022a_omp -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
intel-2022b_impi -4.815925580000000e+00 7.999999951380232e-08 3.319502054514619e-01 PASS
intel-2022a_impi -4.815925580000000e+00 7.999999951380232e-08 3.319502054514619e-01 PASS
foss-2022a_mpi_omp -4.815925580000000e+00 7.999999951380232e-08 3.319502054514619e-01 PASS
eb_foss-2022a -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
eb_foss-2022b_libxc6 -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
eb_foss-2022a_debug -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS
intel-2022a_omp_impi -4.815925580000000e+00 7.999999951380232e-08 3.319502054514619e-01 PASS
eb_foss-2022a_mpi -4.815925580000000e+00 7.999999951380232e-08 3.319502054514619e-01 PASS
eb_foss-2022b_libxc6_mpi -4.815925580000000e+00 7.999999951380232e-08 3.319502054514619e-01 PASS
eb_foss-2022a_mpi_debug -4.815925580000000e+00 7.999999951380232e-08 3.319502054514619e-01 PASS
intel-2022b -4.815925720000000e+00 -6.000000052353016e-08 -2.489626577739841e-01 PASS