Match comparison for Polarizability ZZ w=0.1 (match type 22430)

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Input 06-h2o_pol_lr.03_emresp.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.092327100000000e+01 5.460000000000000e-06 1.108044712500000e+01 4.158489387922126e-01 1.155197850000000e+01 6.287075000000000e-01 FAIL

Checks for this match

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

Reference: 10.923271, precision: 0.00000546
Run Value Difference Relative difference Status
intel-serial: [intel2023a-serial] 1.092327100000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial: [foss2023a-serial] 1.092327100000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-debug: [foss2023a-serial] 1.092327100000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-min-parallel: [intel2022a-mpi] 1.092327100000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
ppc: [foss2023a-serial] 1.092327100000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
autotools_foss_mpi_omp: [foss2023a-mpi] 1.092327100000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-parallel-debug: [foss2023a-mpi] 1.092327100000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-parallel: [intel2023a-mpi] 1.092327100000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-parallel: [foss2023a-mpi] 1.092327100000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-min-parallel: [foss2023b-mpi] 1.092327100000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
autotools_intel_mpi_omp: [intel2023a-mpi] 1.092327100000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
address-sanitizer: [foss2023a-serial, ci-foss-full] 1.092327100000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-serial-debug: [intel2023a-serial] 1.092327100000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-parallel-debug: [intel2023a-mpi] 1.092327100000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] 1.218067400000000e+01 1.257403000000000e+00 2.302935897435897e+05 FAIL
cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] 1.218068600000000e+01 1.257415000000000e+00 2.302957875457875e+05 FAIL