Match comparison for Kinetic energy (match type 12858)

Commits > Commit 32ddd3547162625b90bad3fe3e58ca7314bc5873 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
9.516823850000000e+00 4.760000000000000e-07 9.516823800000001e+00 1.272792202587341e-07 9.516823845000001e+00 1.349999996236306e-07 PASS

Checks for this match

  • MPI builders have different values.
  • GPU builders have different values.
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Detailed information

Reference: 9.51682385, precision: 0.000000476
Run Value Difference Relative difference Status
foss-2022a_ppc 9.516823710000001e+00 -1.399999991491541e-07 -2.941176452713321e-01 PASS
eb_fosscuda-2022a 9.516823710000001e+00 -1.399999991491541e-07 -2.941176452713321e-01 PASS
cmake_foss_2022a_full_serial 9.516823710000001e+00 -1.399999991491541e-07 -2.941176452713321e-01 PASS
cmake_foss_2022a_full_mpi 9.516823980000000e+00 1.300000000981072e-07 2.731092439035865e-01 PASS
cmake_foss_2022a_min_serial 9.516823710000001e+00 -1.399999991491541e-07 -2.941176452713321e-01 PASS
cmake_foss_2022a_min_mpi 9.516823980000000e+00 1.300000000981072e-07 2.731092439035865e-01 PASS
eb_foss-2022a 9.516823710000001e+00 -1.399999991491541e-07 -2.941176452713321e-01 PASS
eb_foss-2022a_debug 9.516823710000001e+00 -1.399999991491541e-07 -2.941176452713321e-01 PASS
eb_foss-2022b_libxc6 9.516823710000001e+00 -1.399999991491541e-07 -2.941176452713321e-01 PASS
foss-2022a_opt 9.516823710000001e+00 -1.399999991491541e-07 -2.941176452713321e-01 PASS
eb_foss-2022a_mpi 9.516823980000000e+00 1.300000000981072e-07 2.731092439035865e-01 PASS
foss-2022a_omp 9.516823710000001e+00 -1.399999991491541e-07 -2.941176452713321e-01 PASS
eb_foss-2022b_libxc6_mpi 9.516823980000000e+00 1.300000000981072e-07 2.731092439035865e-01 PASS
intel-2022a 9.516823710000001e+00 -1.399999991491541e-07 -2.941176452713321e-01 PASS
foss-2022a_mpi_omp 9.516823980000000e+00 1.300000000981072e-07 2.731092439035865e-01 PASS
eb_foss-2022a_mpi_debug 9.516823980000000e+00 1.300000000981072e-07 2.731092439035865e-01 PASS
intel-2022b 9.516823710000001e+00 -1.399999991491541e-07 -2.941176452713321e-01 PASS
intel-2022a_omp 9.516823710000001e+00 -1.399999991491541e-07 -2.941176452713321e-01 PASS
spack_foss-2022a_serial 9.516823710000001e+00 -1.399999991491541e-07 -2.941176452713321e-01 PASS
intel-2022a_impi 9.516823980000000e+00 1.300000000981072e-07 2.731092439035865e-01 PASS
spack_foss-2022a_serial_min 9.516823710000001e+00 -1.399999991491541e-07 -2.941176452713321e-01 PASS
spack_foss-2022a_serial_omp 9.516823710000001e+00 -1.399999991491541e-07 -2.941176452713321e-01 PASS
spack_foss-2022a_serial_debug 9.516823710000001e+00 -1.399999991491541e-07 -2.941176452713321e-01 PASS
intel-2022a_omp_impi 9.516823980000000e+00 1.300000000981072e-07 2.731092439035865e-01 PASS