Match comparison for gga_xc_pbe1w Int[n*v_xc] (match type 12421)

Commits > Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d > Input 03-xc.gga_xc_pbe1w.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.307628100000000e-01 5.130000000000000e-06 -4.173057431250000e-01 7.495032404907286e-02 -2.153837600000000e-01 2.153837600000000e-01 FAIL

Checks for this match

  • GPU builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -0.43076281, precision: 0.00000513
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss-serial-min: [foss2022a-serial] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss-serial-min: [foss2023a-serial] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
intel-serial: [intel2023a-serial] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss-serial-full: [foss2023a-serial] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss-opt-full: [foss2023a-serial] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss-serial-min: [foss2023b-serial] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss-serial-full: [foss2023b-serial] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss-ppc: [foss2022a-serial] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
intel_omp_autotools: [intel2023a-serial] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss-omp-full: [foss2023a-serial] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss-serial-debug: [foss2023a-serial] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
intel_omp_autotools: [intel2022a-serial] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss-mpi-full: [foss2023a-mpi] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss-mpi-min: [foss2022a-mpi] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss-mpi-min: [foss2023a-mpi] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -4.307675200000000e-01 -4.710000000018866e-06 -9.181286549744377e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 0.000000000000000e+00 4.307628100000000e-01 8.396935867446393e+04 FAIL
cuda-serial: [foss2022a-cuda-mpi] -4.307581800000000e-01 4.630000000005463e-06 9.025341130614938e-01 PASS