Match comparison for Hartree (match type 24572)

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Input 04-lithium.01-ground_state.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.706538100000000e+00 1.140000000000000e-06 2.706537436333333e+00 9.435688743171982e-08 2.706537405000000e+00 1.949999999251162e-07 PASS

Checks for this match

  • GPU builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: 2.7065381, precision: 0.00000114
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
foss_min_autotools: [foss2022a-serial] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
foss_min_autotools: [foss2023a-serial] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
foss_min_autotools: [foss2023b-serial] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
foss_autotools: [foss2022a-serial] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
foss_autotools: [foss2023a-serial] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
foss_opt_autotools: [foss2023a-serial] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
intel_autotools: [intel2023a-serial] 2.706537210000000e+00 -8.899999999201214e-07 -7.807017543158958e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
foss_autotools: [foss2023b-serial] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
foss_omp_autotools: [foss2023a-serial] 2.706537270000000e+00 -8.299999998406804e-07 -7.280701752988424e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
intel_omp_autotools: [intel2022a-serial] 2.706537410000000e+00 -6.899999998033479e-07 -6.052631577222349e-01 PASS
intel_omp_autotools: [intel2023a-serial] 2.706537370000000e+00 -7.300000000043383e-07 -6.403508771967880e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 2.706537260000000e+00 -8.399999997799057e-07 -7.368421050700926e-01 PASS
foss_debug_autotools: [foss2023a-serial] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 2.706537550000000e+00 -5.499999997660154e-07 -4.824561401456275e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 2.706537210000000e+00 -8.899999999201214e-07 -7.807017543158958e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 2.706537470000000e+00 -6.300000001679962e-07 -5.526315790947335e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 2.706537270000000e+00 -8.299999998406804e-07 -7.280701752988424e-01 PASS
foss_valgrind_autotools: [foss2023a-serial] 2.706537540000000e+00 -5.600000001493299e-07 -4.912280703064297e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 2.706537600000000e+00 -5.000000000698890e-07 -4.385964912893763e-01 PASS