Match comparison for gga_xc_b97_d Eigenvalue dn (match type 12391)

Commits > Commit 3f3300a09a325083399ad405019c399609c6d1c2 > Input 03-xc.gga_xc_b97_d.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.794480000000000e-01 4.400000000000000e-05 -8.693680625000000e-01 5.633106066035944e-02 -7.176089999999999e-01 1.618790000000001e-01 FAIL

Checks for this match

  • MPI builders have different values.
  • GPU builders have different values.
    • Intel® builders have different values.
    Zen 4 builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: -0.879448, precision: 0.000044
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss-serial-min: [foss2023a-serial] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss-serial-min: [foss2022a-serial] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss-opt-full: [foss2023a-serial] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss-serial-min: [foss2023b-serial] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss-serial-full: [foss2023b-serial] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
intel_autotools: [intel2023a-serial] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss-serial-full: [foss2023a-serial] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss-ppc: [foss2022a-serial] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss-serial-debug: [foss2023a-serial] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
intel_omp_autotools: [intel2022a-serial] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
intel_omp_autotools: [intel2023a-serial] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss-omp-full: [foss2023a-serial] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss-mpi-full: [foss2023a-mpi] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss-mpi-min: [foss2022a-mpi] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss-mpi-min: [foss2023a-mpi] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -5.557299999999999e-01 3.237180000000001e-01 7.357227272727274e+03 FAIL
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -8.794080000000000e-01 4.000000000004000e-05 9.090909090918183e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -8.794880000000000e-01 -4.000000000004000e-05 -9.090909090918183e-01 PASS