Match comparison for Hartree energy (match type 29030)

Commits > Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd > Input 16-platinum_psp8.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.021574649900000e+02 3.690000000000000e-06 1.021574658700000e+02 2.780000002644556e-06 1.021574658700000e+02 2.780000002644556e-06 PASS

Checks for this match

  • MPI builders have different values.
  • GPU builders have different values.
    • Zen 4 builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: 102.15746499000001, precision: 0.00000369
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 1.021574630900000e+02 -1.900000015098158e-06 -5.149051531431322e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 1.021574630900000e+02 -1.900000015098158e-06 -5.149051531431322e-01 PASS
cuda-mpi: [foss2022a-cuda-mpi] 1.021574686500000e+02 3.659999990190954e-06 9.918699160409090e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 1.021574686500000e+02 3.659999990190954e-06 9.918699160409090e-01 PASS