Match comparison for MVORB HSE06 Fock Int[n*v_xc] (match type 23350)

Commits > Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd > Input 03-xc.mvorb_hse06_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.586638600000000e-01 3.130000000000000e-06 -2.586623240000000e-01 2.188000000002966e-06 -2.586639650000000e-01 2.735000000003707e-06 PASS

Checks for this match

  • MPI builders have different values.
  • GPU builders have different values.
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Detailed information

Reference: -0.25866386, precision: 0.00000313
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -2.586612300000000e-01 2.630000000003463e-06 8.402555910554195e-01 PASS
intel_autotools: [intel2023a-serial] -2.586612300000000e-01 2.630000000003463e-06 8.402555910554195e-01 PASS
intel_omp_autotools: [intel2023a-serial] -2.586612300000000e-01 2.630000000003463e-06 8.402555910554195e-01 PASS
foss-omp-full: [foss2023a-serial] -2.586612300000000e-01 2.630000000003463e-06 8.402555910554195e-01 PASS
foss-serial-min: [foss2023b-serial] -2.586612300000000e-01 2.630000000003463e-06 8.402555910554195e-01 PASS
foss-opt-full: [foss2023a-serial] -2.586612300000000e-01 2.630000000003463e-06 8.402555910554195e-01 PASS
foss-serial-min: [foss2022a-serial] -2.586612300000000e-01 2.630000000003463e-06 8.402555910554195e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -2.586612300000000e-01 2.630000000003463e-06 8.402555910554195e-01 PASS
cuda-mpi: [foss2022a-cuda-mpi] -2.586667000000000e-01 -2.840000000003950e-06 -9.073482428127637e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -2.586667000000000e-01 -2.840000000003950e-06 -9.073482428127637e-01 PASS