Match comparison for Polarizability ZZ w=0.0 (match type 22427)

Commits > Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca > Input 06-h2o_pol_lr.03_emresp.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.021182600000000e+01 5.110000000000000e-06 1.032135983333333e+01 3.098084652774731e-01 1.070472850000000e+01 4.929024999999996e-01 FAIL

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: 10.211826, precision: 0.00000511
Run Value Difference Relative difference Status
foss-serial-zen4: [foss2023a-serial] 1.021182600000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-serial: [intel2023a-serial] 1.021182600000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-debug: [foss2023a-serial] 1.021182600000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-min-parallel: [intel2022a-mpi] 1.021182600000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-parallel: [intel2023a-mpi] 1.021182600000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-parallel-zen4: [foss2023a-mpi] 1.021182600000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-min-parallel-zen4: [foss2023a-mpi] 1.021182600000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
autotools_foss_mpi_omp: [foss2023a-mpi] 1.021182600000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial: [foss2023a-serial] 1.021182600000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-parallel-debug: [foss2023a-mpi] 1.021182600000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
ppc: [foss2023a-serial] 1.021182600000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] 1.119763100000000e+01 9.858049999999992e-01 1.929168297455967e+05 FAIL
autotools_intel_mpi_omp: [intel2023a-mpi] 1.021182600000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-serial-debug: [intel2023a-serial] 1.021182600000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-parallel: [foss2023a-mpi] 1.021182600000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-min-parallel: [foss2023b-mpi] 1.021182600000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-parallel-debug: [intel2023a-mpi] 1.021182600000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] 1.119763000000000e+01 9.858039999999999e-01 1.929166340508806e+05 FAIL