Match comparison for PBE0 OEP Eigenvalue dn (match type 12509)

Commits > Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 > Input 03-xc.pbe0_oep.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.208640000000000e-01 3.850000000000000e-05 -4.483111250000000e-01 2.074468920112141e+00 5.140472000000000e+00 5.961371000000001e+00 FAIL

Checks for this match

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

Reference: -0.820864, precision: 0.0000385
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-serial-min: [foss2022a-serial] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-serial-min: [foss2023b-serial] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-serial-min: [foss2023a-serial] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
intel_autotools: [intel2023a-serial] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-serial-full: [foss2023a-serial] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-opt-full: [foss2023a-serial] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-serial-full: [foss2023b-serial] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-ppc: [foss2022a-serial] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
intel_omp_autotools: [intel2023a-serial] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-serial-debug: [foss2023a-serial] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
intel_omp_autotools: [intel2022a-serial] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-omp-full: [foss2023a-serial] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-mpi-full: [foss2023a-mpi] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-mpi-min: [foss2023a-mpi] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-mpi-min: [foss2022a-mpi] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 1.110184300000000e+01 1.192270700000000e+01 3.096807012987013e+05 FAIL
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -8.208290000000000e-01 3.500000000000725e-05 9.090909090910974e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS