Match comparison for Dipole y (match type 22770)

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Input 08-benzene_supercell.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
6.211499999999999e-13 5.850000000000000e-12 -1.466287495268225e-04 3.894786030383445e-04 -6.353749970305550e-04 6.353750029694450e-04 FAIL

Checks for this match

  • GPU builders have different values.
  • Precision seems large and value close to zero. Should value be 0?
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: 0.0000000000006211499999999999, precision: 0.00000000000585
Run Value Difference Relative difference Status
intel-serial: [intel2023a-serial] 1.997780000000000e-12 1.376630000000000e-12 2.353213675213675e-01 PASS
foss-serial: [foss2023a-serial] -1.501110000000000e-12 -2.122260000000000e-12 -3.627794871794872e-01 PASS
foss-serial-debug: [foss2023a-serial] -1.501110000000000e-12 -2.122260000000000e-12 -3.627794871794872e-01 PASS
intel-min-parallel: [intel2022a-mpi] 2.017070000000000e-12 1.395920000000000e-12 2.386188034188034e-01 PASS
ppc: [foss2023a-serial] 5.938890000000000e-12 5.317740000000000e-12 9.090153846153846e-01 PASS
autotools_foss_mpi_omp: [foss2023a-mpi] -1.490420000000000e-12 -2.111570000000000e-12 -3.609521367521367e-01 PASS
foss-parallel-debug: [foss2023a-mpi] -1.490420000000000e-12 -2.111570000000000e-12 -3.609521367521367e-01 PASS
intel-parallel: [intel2023a-mpi] 2.017070000000000e-12 1.395920000000000e-12 2.386188034188034e-01 PASS
foss-parallel: [foss2023a-mpi] -1.490420000000000e-12 -2.111570000000000e-12 -3.609521367521367e-01 PASS
foss-min-parallel: [foss2023b-mpi] -1.472340000000000e-12 -2.093490000000000e-12 -3.578615384615384e-01 PASS
autotools_intel_mpi_omp: [intel2023a-mpi] 2.032110000000000e-12 1.410960000000000e-12 2.411897435897435e-01 PASS
address-sanitizer: [foss2023a-serial, ci-foss-full] -1.501110000000000e-12 -2.122260000000000e-12 -3.627794871794872e-01 PASS
intel-serial-debug: [intel2023a-serial] 1.997780000000000e-12 1.376630000000000e-12 2.353213675213675e-01 PASS
intel-parallel-debug: [intel2023a-mpi] 2.017070000000000e-12 1.395920000000000e-12 2.386188034188034e-01 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] -1.270750000000000e-03 -1.270750000621150e-03 -2.172222223284017e+08 FAIL
cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] -1.075310000000000e-03 -1.075310000621150e-03 -1.838136753198547e+08 FAIL