Match comparison for gga_c_lyp Eigenvalue dn (match type 12251)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-5.890445000000000e-01 2.810000000000000e-05 -5.878398437500000e-01 6.840066008953118e-03 -5.694129999999999e-01 1.965699999999998e-02 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: -0.5890445, precision: 0.0000281
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss-serial-min: [foss2022a-serial] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss-serial-min: [foss2023b-serial] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss-serial-min: [foss2023a-serial] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
intel_autotools: [intel2023a-serial] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss-serial-full: [foss2023a-serial] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss-opt-full: [foss2023a-serial] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss-serial-full: [foss2023b-serial] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss-ppc: [foss2022a-serial] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
intel_omp_autotools: [intel2023a-serial] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss-serial-debug: [foss2023a-serial] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
intel_omp_autotools: [intel2022a-serial] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss-omp-full: [foss2023a-serial] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss-mpi-full: [foss2023a-mpi] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss-mpi-min: [foss2023a-mpi] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss-mpi-min: [foss2022a-mpi] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -5.497560000000000e-01 3.928849999999995e-02 1.398167259786475e+03 FAIL
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -5.890190000000000e-01 2.550000000001162e-05 9.074733096089547e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -5.890700000000000e-01 -2.550000000001162e-05 -9.074733096089547e-01 PASS