Match comparison for MVORB HSE06 Fock Eigenvalue dn (match type 31635)

Commits > Commit 3f3300a09a325083399ad405019c399609c6d1c2 > Input 03-xc.mvorb_hse06_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-5.422330000000000e-01 2.710000000000000e-05 -2.658237500000000e-01 1.538986780260372e+00 3.880329000000000e+00 4.422563000000000e+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: -0.542233, precision: 0.0000271
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss-serial-min: [foss2023a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss-serial-min: [foss2022a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss-opt-full: [foss2023a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss-serial-min: [foss2023b-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss-serial-full: [foss2023b-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
intel_autotools: [intel2023a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss-serial-full: [foss2023a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss-ppc: [foss2022a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss-serial-debug: [foss2023a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
intel_omp_autotools: [intel2022a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
intel_omp_autotools: [intel2023a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss-mpi-opt-full: [foss2023a-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss-omp-full: [foss2023a-serial] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss-mpi-full: [foss2023a-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss-mpi-min: [foss2022a-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss-mpi-min: [foss2023a-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
foss-mpi-omp-full: [foss2023a-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS
cuda-serial: [foss2022a-cuda-mpi] 8.302892000000000e+00 8.845124999999999e+00 3.263883763837638e+05 FAIL
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -5.422320000000000e-01 9.999999999177334e-07 3.690036900065437e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -5.422340000000000e-01 -1.000000000028756e-06 -3.690036900475113e-02 PASS