Match comparison for Dipole z (match type 22420)

Commits > Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 > 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 4.259060917241380e-15 5.384795849079887e-15 7.145678000000000e-15 7.884622000000000e-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.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: 0.0000000000000129268, precision: 0.000000000000023
Run Value Difference Relative difference Status
foss-2022a_ppc 3.374360000000000e-17 -1.289305640000000e-14 -5.605676695652174e-01 PASS
spack_foss-2022a_serial_opt -3.365550000000000e-16 -1.326335500000000e-14 -5.766676086956521e-01 PASS
spack_foss-2022a_serial_min -3.365550000000000e-16 -1.326335500000000e-14 -5.766676086956521e-01 PASS
spack_foss-2022a_serial -3.365550000000000e-16 -1.326335500000000e-14 -5.766676086956521e-01 PASS
foss-2022a_opt 2.512560000000000e-16 -1.267554400000000e-14 -5.511106086956522e-01 PASS
intel-2022b -7.389440000000000e-16 -1.366574400000000e-14 -5.941627826086956e-01 PASS
intel-2022a -7.389440000000000e-16 -1.366574400000000e-14 -5.941627826086956e-01 PASS
spack_foss-2022a_serial_omp 1.530360000000000e-15 -1.139644000000000e-14 -4.954973913043478e-01 PASS
spack_foss-2022a_serial_debug -3.365550000000000e-16 -1.326335500000000e-14 -5.766676086956521e-01 PASS
foss-2022a_omp 1.949860000000000e-15 -1.097694000000000e-14 -4.772582608695652e-01 PASS
spack_foss-2022a_mpi 1.503030000000000e-14 2.103500000000000e-15 9.145652173913042e-02 PASS
intel-2022a_omp 7.601980000000000e-16 -1.216660200000000e-14 -5.289826956521739e-01 PASS
intel-2022a_impi 1.065870000000000e-14 -2.268100000000001e-15 -9.861304347826090e-02 PASS
cmake_foss_2022a_full_mpi 1.503030000000000e-14 2.103500000000000e-15 9.145652173913042e-02 PASS
spack_foss-2022a_mpi_omp 8.280880000000000e-15 -4.645920000000000e-15 -2.019965217391305e-01 PASS
eb_fosscuda-2022a 3.952970000000000e-16 -1.253150300000000e-14 -5.448479565217391e-01 PASS
cmake_foss_2022a_full_serial -3.365550000000000e-16 -1.326335500000000e-14 -5.766676086956521e-01 PASS
cmake_foss_2022a_min_serial -3.365550000000000e-16 -1.326335500000000e-14 -5.766676086956521e-01 PASS
foss-2022a_mpi_omp 6.851130000000000e-15 -6.075670000000000e-15 -2.641595652173913e-01 PASS
cmake_foss_2022a_min_mpi 5.286830000000000e-15 -7.639970000000000e-15 -3.321726086956522e-01 PASS
eb_foss-2022a 2.512560000000000e-16 -1.267554400000000e-14 -5.511106086956522e-01 PASS
eb_foss-2022b_libxc6 1.713980000000000e-16 -1.275540200000000e-14 -5.545826956521739e-01 PASS
intel-2022a_omp_impi 5.399270000000000e-15 -7.527530000000000e-15 -3.272839130434783e-01 PASS
eb_foss-2022a_debug 2.512560000000000e-16 -1.267554400000000e-14 -5.511106086956522e-01 PASS
eb_foss-2022a_mpi 1.249000000000000e-14 -4.367999999999995e-16 -1.899130434782607e-02 PASS
eb_foss-2022b_libxc6_mpi 1.178060000000000e-14 -1.146200000000000e-15 -4.983478260869564e-02 PASS
eb_foss-2022a_mpi_debug 1.249000000000000e-14 -4.367999999999995e-16 -1.899130434782607e-02 PASS
eb_fosscuda-2022a_mpi_omp 7.458650000000001e-15 -5.468150000000000e-15 -2.377456521739130e-01 PASS
intel-2022b_impi 1.065870000000000e-14 -2.268100000000001e-15 -9.861304347826090e-02 PASS