Match comparison for Hartree energy (match type 31184)

Commits > Commit c9606f298ccf4e57d14167459d26815f7508aa3e > Input 02-cu2_hgh.02_gs_current.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.109311722200000e+02 5.550000000000000e-08 1.109311722110000e+02 2.999998116770957e-09 1.109311722150000e+02 4.999996860988176e-09 PASS

Checks for this match

  • MPI builders have different values.
  • OpenMP builders have different values.
  • GPU builders have different values.
    • Intel® builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: 110.93117222, precision: 0.0000000555
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_min_autotools: [foss2023a-serial] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_min_autotools: [foss2022a-serial] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_min_autotools: [foss2023b-serial] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_autotools: [foss2023a-serial] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_opt_autotools: [foss2023a-serial] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_autotools: [foss2023b-serial] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_autotools: [foss2022a-serial] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
intel_autotools: [intel2023a-serial] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 1.109311722200000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 1.109311722200000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_debug_autotools: [foss2023a-serial] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_omp_autotools: [foss2023a-serial] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
intel_omp_autotools: [intel2022a-serial] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 1.109311722200000e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_omp_autotools: [intel2023a-serial] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 1.109311722100000e+02 -9.999993721976352e-09 -1.801800670626370e-01 PASS