Match comparison for Dipole z (match type 22420)

Commits > Commit ea6affb390844fd1d159151b43e705a091215c1a > Input 06-h2o_pol_lr.01_gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.292680000000000e-14 2.300000000000000e-14 5.980272000000001e-15 6.640631126463335e-15 6.738915000000000e-15 8.796785000000001e-15 PASS

Checks for this match

  • MPI 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: 0.0000000000000129268, precision: 0.000000000000023
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min 6.606170000000000e-16 -1.226618300000000e-14 -5.333123043478261e-01 PASS
spack_foss-2023a_serial_opt 6.606170000000000e-16 -1.226618300000000e-14 -5.333123043478261e-01 PASS
spack_foss-2023a_serial 6.606170000000000e-16 -1.226618300000000e-14 -5.333123043478261e-01 PASS
spack_foss-2023a_serial_min 6.606170000000000e-16 -1.226618300000000e-14 -5.333123043478261e-01 PASS
spack_foss-2023b_serial 6.606170000000000e-16 -1.226618300000000e-14 -5.333123043478261e-01 PASS
spack_foss-2022a_serial 6.606170000000000e-16 -1.226618300000000e-14 -5.333123043478261e-01 PASS
spack_foss-2022a_mpi_min 1.553570000000000e-14 2.608900000000000e-15 1.134304347826087e-01 PASS
spack_foss-2022a_ppc 6.725770000000000e-16 -1.225422300000000e-14 -5.327923043478261e-01 PASS
spack_foss-2023a_mpi_min 1.553570000000000e-14 2.608900000000000e-15 1.134304347826087e-01 PASS
spack_foss-2023a_serial_omp 2.509020000000000e-15 -1.041778000000000e-14 -4.529469565217392e-01 PASS
spack_foss-2022a_mpi 1.553570000000000e-14 2.608900000000000e-15 1.134304347826087e-01 PASS
spack_foss-2023a_mpi 1.553570000000000e-14 2.608900000000000e-15 1.134304347826087e-01 PASS
spack_foss-2023a_serial_debug 6.606170000000000e-16 -1.226618300000000e-14 -5.333123043478261e-01 PASS
spack_foss-2023a_mpi_debug 1.553570000000000e-14 2.608900000000000e-15 1.134304347826087e-01 PASS
spack_foss-2023a_mpi_omp 7.749620000000001e-15 -5.177179999999999e-15 -2.250947826086956e-01 PASS
cmake_foss_2022a_full_serial 6.606170000000000e-16 -1.226618300000000e-14 -5.333123043478261e-01 PASS
cmake_foss_2022a_min_serial 6.606170000000000e-16 -1.226618300000000e-14 -5.333123043478261e-01 PASS
cmake_foss_2022a_min_mpi 6.872300000000000e-15 -6.054500000000000e-15 -2.632391304347826e-01 PASS
cmake_foss_2022a_full_mpi 1.553570000000000e-14 2.608900000000000e-15 1.134304347826087e-01 PASS
spack_intel-2023a_serial -2.057870000000000e-15 -1.498467000000000e-14 -6.515073913043479e-01 PASS
spack_intel-2022a_impi_omp 6.701880000000000e-15 -6.224920000000000e-15 -2.706486956521739e-01 PASS
spack_intel-2022a_serial_omp 4.806840000000000e-16 -1.244611600000000e-14 -5.411354782608696e-01 PASS
spack_intel-2023a_serial_omp 4.806840000000000e-16 -1.244611600000000e-14 -5.411354782608696e-01 PASS
spack_intel-2023a_impi 1.490150000000000e-14 1.974700000000000e-15 8.585652173913041e-02 PASS
spack_foss-2023a_mpi_opt 1.553570000000000e-14 2.608900000000000e-15 1.134304347826087e-01 PASS
spack_foss-2022a_cuda_mpi_omp 8.776769999999999e-15 -4.150030000000001e-15 -1.804360869565218e-01 PASS
spack_foss-2022a_cuda_serial -3.152740000000000e-16 -1.324207400000000e-14 -5.757423478260869e-01 PASS