Match comparison for Hartree energy (match type 30069)

Commits > Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e > Input 10-fullerene.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.954895867480000e+03 3.710000000000000e-05 3.954895867570000e+03 5.581562627257142e-08 3.954895867495000e+03 1.449998308089562e-07 PASS
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Detailed information

Reference: 3954.89586748, precision: 0.0000371
Run Value Difference Relative difference Status
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 3.954895867630000e+03 1.499997779319528e-07 4.043120698974470e-03 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 3.954895867640000e+03 1.599996721779462e-07 4.312659627437903e-03 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
GCI_intel_autotools: [intel2023a-serial] 3.954895867590000e+03 1.099997462006286e-07 2.964952727779746e-03 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 3.954895867350000e+03 -1.299999894399662e-07 -3.504042842047605e-03 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 3.954895867580000e+03 9.999985195463523e-08 2.695413799316313e-03 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 3.954895867540000e+03 5.999982022331096e-08 1.617245828121589e-03 PASS
GCI_foss_min_autotools: [foss2023a-serial] 3.954895867620000e+03 1.399998836859595e-07 3.773581770511038e-03 PASS
GCI_foss_min_autotools: [foss2022a-serial] 3.954895867620000e+03 1.399998836859595e-07 3.773581770511038e-03 PASS
GCI_foss_autotools: [foss2022a-serial] 3.954895867620000e+03 1.399998836859595e-07 3.773581770511038e-03 PASS
GCI_foss_autotools: [foss2023a-serial] 3.954895867620000e+03 1.399998836859595e-07 3.773581770511038e-03 PASS
GCI_foss_min_autotools: [foss2023b-serial] 3.954895867620000e+03 1.399998836859595e-07 3.773581770511038e-03 PASS
GCI_foss_autotools: [foss2023b-serial] 3.954895867620000e+03 1.399998836859595e-07 3.773581770511038e-03 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 3.954895867620000e+03 1.399998836859595e-07 3.773581770511038e-03 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS