Match comparison for PBE0 Fock Eigenvalue up (match type 12503)

Commits > Commit 3874475d54e6d4931162c1a62f5667add8f8f561 > Input 03-xc.pbe0_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.024722000000000e+00 3.410000000000000e-05 -1.024748407407407e+00 1.623726682724835e-05 -1.024722000000000e+00 3.100000000000325e-05 PASS

Checks for this match

  • GPU builders have different values.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -1.0247220000000001, precision: 0.0000341
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_min_autotools: [foss2023b-serial] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_min_autotools: [foss2023a-serial] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_min_autotools: [foss2022a-serial] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_autotools: [foss2023b-serial] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_opt_autotools: [foss2023a-serial] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_autotools: [foss2023a-serial] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_autotools: [foss2022a-serial] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
intel_autotools: [intel2023a-serial] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_omp_autotools: [foss2023a-serial] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_debug_autotools: [foss2023a-serial] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -1.024691000000000e+00 3.100000000011427e-05 9.090909090942600e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -1.024691000000000e+00 3.100000000011427e-05 9.090909090942600e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -1.024753000000000e+00 -3.099999999989222e-05 -9.090909090877485e-01 PASS