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

Commits > Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d > Input 03-xc.mvorb_hse06_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.586638600000000e-01 3.130000000000000e-06 -2.586617793548387e-01 9.275946538415479e-07 -2.586642350000000e-01 2.625000000006095e-06 PASS

Checks for this match

  • MPI builders have different values.
  • OpenMP 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: -0.25866386, precision: 0.00000313
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss-serial-min: [foss2022a-serial] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss-serial-min: [foss2023a-serial] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
intel-serial: [intel2023a-serial] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss-serial-full: [foss2023a-serial] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss-opt-full: [foss2023a-serial] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss-serial-min: [foss2023b-serial] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss-serial-full: [foss2023b-serial] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss-ppc: [foss2022a-serial] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
intel_omp_autotools: [intel2023a-serial] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss-omp-full: [foss2023a-serial] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss-serial-debug: [foss2023a-serial] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
intel_omp_autotools: [intel2022a-serial] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss-mpi-full: [foss2023a-mpi] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss-mpi-min: [foss2022a-mpi] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss-mpi-min: [foss2023a-mpi] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -2.586616100000000e-01 2.250000000036945e-06 7.188498402673944e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -2.586668600000000e-01 -2.999999999975245e-06 -9.584664536662123e-01 PASS