Match comparison for Dipole x (match type 22769)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
6.727400000000000e-13 6.610000000000000e-12 -1.501687848773126e-05 5.880320270969386e-04 -1.201350000000001e-04 1.659405000000000e-03 FAIL

Checks for this match

  • 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: 0.00000000000067274, precision: 0.00000000000661
Run Value Difference Relative difference Status
intel-serial: [intel2023a-serial] -5.328810000000000e-12 -6.001550000000000e-12 -9.079500756429651e-01 PASS
foss-serial: [foss2023a-serial] -4.358820000000000e-12 -5.031560000000000e-12 -7.612042360060514e-01 PASS
foss-serial-debug: [foss2023a-serial] -4.358820000000000e-12 -5.031560000000000e-12 -7.612042360060514e-01 PASS
intel-min-parallel: [intel2022a-mpi] -5.327590000000000e-12 -6.000330000000000e-12 -9.077655068078668e-01 PASS
ppc: [foss2023a-serial] 6.685830000000000e-12 6.013090000000000e-12 9.096959152798789e-01 PASS
autotools_foss_mpi_omp: [foss2023a-mpi] -4.353800000000000e-12 -5.026540000000001e-12 -7.604447806354010e-01 PASS
foss-parallel-debug: [foss2023a-mpi] -4.353800000000000e-12 -5.026540000000001e-12 -7.604447806354010e-01 PASS
intel-parallel: [intel2023a-mpi] -5.327590000000000e-12 -6.000330000000000e-12 -9.077655068078668e-01 PASS
foss-parallel: [foss2023a-mpi] -4.353800000000000e-12 -5.026540000000001e-12 -7.604447806354010e-01 PASS
foss-min-parallel: [foss2023b-mpi] -4.370930000000000e-12 -5.043670000000000e-12 -7.630363086232980e-01 PASS
autotools_intel_mpi_omp: [intel2023a-mpi] -5.340350000000000e-12 -6.013090000000001e-12 -9.096959152798790e-01 PASS
address-sanitizer: [foss2023a-serial, ci-foss-full] -4.358820000000000e-12 -5.031560000000000e-12 -7.612042360060514e-01 PASS
intel-serial-debug: [intel2023a-serial] -5.328810000000000e-12 -6.001550000000000e-12 -9.079500756429651e-01 PASS
intel-parallel-debug: [intel2023a-mpi] -5.327590000000000e-12 -6.000330000000000e-12 -9.077655068078668e-01 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] -1.779540000000000e-03 -1.779540000672740e-03 -2.692193647008684e+08 FAIL
cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] 1.539270000000000e-03 1.539269999327260e-03 2.328698939980726e+08 FAIL