Match comparison for Hartree energy (match type 30882)

Commits > Commit 94d58911903c32860449c62a795f2d74d19217f9 > Input 01-nio.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
6.828467759000000e+01 1.900000000000000e-06 6.828467776294119e+01 7.830503281938681e-07 6.828467777000000e+01 1.529999998695075e-06 PASS

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Detailed information

Reference: 68.28467759, precision: 0.0000019
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 6.828467929999999e+01 1.709999992272060e-06 8.999999959326631e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 6.828467807000000e+01 4.799999970828139e-07 2.526315774120073e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 6.828467904999999e+01 1.459999992903249e-06 7.684210488964469e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 6.828467889000000e+01 1.299999993875645e-06 6.842105230924445e-01 PASS
foss_min_autotools: [foss2022a-serial] 6.828467889000000e+01 1.299999993875645e-06 6.842105230924445e-01 PASS
foss_min_autotools: [foss2023b-serial] 6.828467793999999e+01 3.499999934319931e-07 1.842105228589437e-01 PASS
foss_min_autotools: [foss2023a-serial] 6.828467793999999e+01 3.499999934319931e-07 1.842105228589437e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 6.828467750999999e+01 -8.000000661922968e-08 -4.210526664169983e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] 6.828467889000000e+01 1.299999993875645e-06 6.842105230924445e-01 PASS
foss_autotools: [foss2022a-serial] 6.828467889000000e+01 1.299999993875645e-06 6.842105230924445e-01 PASS
foss_opt_autotools: [foss2023a-serial] 6.828467793999999e+01 3.499999934319931e-07 1.842105228589437e-01 PASS
foss_autotools: [foss2023a-serial] 6.828467793999999e+01 3.499999934319931e-07 1.842105228589437e-01 PASS
foss_autotools: [foss2023b-serial] 6.828467793999999e+01 3.499999934319931e-07 1.842105228589437e-01 PASS
intel_autotools: [intel2023a-serial] 6.828467636000001e+01 -1.229999995189246e-06 -6.473684185206557e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 6.828467729000000e+01 -2.999999964004019e-07 -1.578947349475799e-01 PASS
foss_omp_autotools: [foss2023a-serial] 6.828467687000000e+01 -7.200000027296483e-07 -3.789473698577096e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 6.828467729000000e+01 -2.999999964004019e-07 -1.578947349475799e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 6.828467784999999e+01 2.599999930907870e-07 1.368421016267300e-01 PASS
foss_debug_autotools: [foss2023a-serial] 6.828467793999999e+01 3.499999934319931e-07 1.842105228589437e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 6.828467784999999e+01 2.599999930907870e-07 1.368421016267300e-01 PASS
intel_omp_autotools: [intel2023a-serial] 6.828467741999999e+01 -1.700000069604357e-07 -8.947368787391353e-02 PASS
intel_omp_autotools: [intel2022a-serial] 6.828467707999999e+01 -5.100000066704524e-07 -2.684210561423434e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 6.828467784999999e+01 2.599999930907870e-07 1.368421016267300e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 6.828467729000000e+01 -2.999999964004019e-07 -1.578947349475799e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 6.828467784999999e+01 2.599999930907870e-07 1.368421016267300e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 6.828467898000000e+01 1.389999994216851e-06 7.315789443246582e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 6.828467644000000e+01 -1.150000002780871e-06 -6.052631593583532e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 6.828467784999999e+01 2.599999930907870e-07 1.368421016267300e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 6.828467729000000e+01 -2.999999964004019e-07 -1.578947349475799e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 6.828467688000001e+01 -7.099999947968172e-07 -3.736842077877985e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 6.828467784999999e+01 2.599999930907870e-07 1.368421016267300e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 6.828467709000000e+01 -4.999999987376214e-07 -2.631578940724323e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 6.828467624000000e+01 -1.350000005118090e-06 -7.105263184832055e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 6.828467719000000e+01 -4.000000046744390e-07 -2.105263182497047e-01 PASS