Match comparison for Polarizability XX w=0.1 (match type 17724)

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Input 02-h2o_pol_lr.05_h2o_magn_opt.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.568035700000000e+01 7.839999999999999e-06 1.568035641176471e+01 2.030903117989776e-06 1.568035500000000e+01 3.999999999670933e-06 PASS

Checks for this match

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

Reference: 15.680357, precision: 0.00000784
Run Value Difference Relative difference Status
intel-serial: [intel2023a-serial] 1.568035700000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial: [foss2023a-serial] 1.568035700000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-debug: [foss2023a-serial] 1.568035700000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-min-parallel: [intel2022a-mpi] 1.568035700000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
ppc: [foss2023a-serial] 1.568035700000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
autotools_foss_mpi_omp: [foss2023a-mpi] 1.568035700000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-parallel-debug: [foss2023a-mpi] 1.568035700000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-parallel: [intel2023a-mpi] 1.568035700000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-parallel: [foss2023a-mpi] 1.568035700000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-min-parallel: [foss2023b-mpi] 1.568035700000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
autotools_intel_mpi_omp: [intel2023a-mpi] 1.568035700000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
address-sanitizer: [foss2023a-serial, ci-foss-full] 1.568035700000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-min-parallel: [foss2022a-mpi] 1.568035900000000e+01 1.999999998503199e-06 2.551020406254081e-01 PASS
intel-serial-debug: [intel2023a-serial] 1.568035700000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-parallel-debug: [intel2023a-mpi] 1.568035700000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] 1.568035100000000e+01 -6.000000000838668e-06 -7.653061225559525e-01 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] 1.568035100000000e+01 -6.000000000838668e-06 -7.653061225559525e-01 PASS