Match comparison for Hartree energy (match type 30069)

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Input 10-fullerene.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.954895867480000e+03 3.710000000000000e-05 3.954895867573333e+03 1.033691937085782e-07 3.954895867780000e+03 4.300000000512227e-07 PASS
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Detailed information

Reference: 3954.89586748, precision: 0.0000371
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
spack_foss-2022a_serial_min 3.954895867620000e+03 1.399998836859595e-07 3.773581770511038e-03 PASS
spack_foss-2022a_serial 3.954895867620000e+03 1.399998836859595e-07 3.773581770511038e-03 PASS
spack_foss-2022a_ppc 3.954895867540000e+03 5.999982022331096e-08 1.617245828121589e-03 PASS
spack_foss-2022a_mpi_min 3.954895867540000e+03 5.999982022331096e-08 1.617245828121589e-03 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
cmake_foss_2022a_full_mpi 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
spack_foss-2022a_mpi 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
cmake_foss_2022a_min_serial 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
spack_foss-2023a_mpi 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
cmake_foss_2022a_min_mpi 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 3.954895867510000e+03 2.999968273798004e-08 8.086167853902975e-04 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 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-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_omp_autotools: [intel2023a-serial] 3.954895867580000e+03 9.999985195463523e-08 2.695413799316313e-03 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 3.954895867350000e+03 -1.299999894399662e-07 -3.504042842047605e-03 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 3.954895867540000e+03 5.999982022331096e-08 1.617245828121589e-03 PASS
spack_foss-2023a_mpi_debug 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 3.954895867540000e+03 5.999982022331096e-08 1.617245828121589e-03 PASS
GCI_foss_min_autotools: [foss2022a-serial] 3.954895867620000e+03 1.399998836859595e-07 3.773581770511038e-03 PASS
GCI_foss_min_autotools: [foss2023a-serial] 3.954895867620000e+03 1.399998836859595e-07 3.773581770511038e-03 PASS
spack_foss-2023a_mpi_min 3.954895867540000e+03 5.999982022331096e-08 1.617245828121589e-03 PASS
GCI_foss_min_autotools: [foss2023b-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_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
spack_foss-2023a_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: [foss2022a-mpi] 3.954895867540000e+03 5.999982022331096e-08 1.617245828121589e-03 PASS
GCI_foss_mpi_autotools: [foss2023a-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
spack_foss-2023a_mpi_opt 3.954895868210000e+03 7.300000106624793e-07 1.967655015262747e-02 PASS
spack_foss-2023a_serial_debug 3.954895867620000e+03 1.399998836859595e-07 3.773581770511038e-03 PASS
spack_foss-2023a_serial_min 3.954895867620000e+03 1.399998836859595e-07 3.773581770511038e-03 PASS
spack_foss-2023a_serial_opt 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
spack_foss-2023a_mpi_omp 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
spack_foss-2023b_serial 3.954895867620000e+03 1.399998836859595e-07 3.773581770511038e-03 PASS
spack_foss-2023a_serial_omp 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
spack_intel-2023a_serial 3.954895867590000e+03 1.099997462006286e-07 2.964952727779746e-03 PASS
spack_intel-2022a_serial_omp 3.954895867350000e+03 -1.299999894399662e-07 -3.504042842047605e-03 PASS
spack_intel-2023a_serial_omp 3.954895867580000e+03 9.999985195463523e-08 2.695413799316313e-03 PASS
spack_intel-2023a_impi 3.954895867620000e+03 1.399998836859595e-07 3.773581770511038e-03 PASS
spack_intel-2022a_impi_omp 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
spack_foss-2022a_cuda_mpi_omp 3.954895867550000e+03 6.999971446930431e-08 1.886784756585022e-03 PASS
spack_foss-2022a_cuda_serial 3.954895867560000e+03 8.000006346264854e-08 2.156335942389449e-03 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 3.954895867620000e+03 1.399998836859595e-07 3.773581770511038e-03 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 3.954895867450000e+03 -3.000013748533092e-08 -8.086290427312918e-04 PASS