Match comparison for B3LYP Fock Int[n*v_xc] (match type 12228)

Commits > Commit f72050fe95608e153e1887ef05d1ad42dc082fde > Input 03-xc.b3lyp_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.479046950000000e-01 4.190000000000000e-06 -3.479080137500000e-01 1.841953361927814e-06 -3.479046850000000e-01 3.815000000018109e-06 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: -0.347904695, precision: 0.00000419
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.479084800000000e-01 -3.785000000033900e-06 -9.033412887909070e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -3.479084800000000e-01 -3.785000000033900e-06 -9.033412887909070e-01 PASS
foss-serial-min: [foss2023a-serial] -3.479084800000000e-01 -3.785000000033900e-06 -9.033412887909070e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -3.479085000000000e-01 -3.805000000023373e-06 -9.081145584781321e-01 PASS
foss-serial-min: [foss2022a-serial] -3.479084800000000e-01 -3.785000000033900e-06 -9.033412887909070e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.479085000000000e-01 -3.805000000023373e-06 -9.081145584781321e-01 PASS
foss-serial-full: [foss2023b-serial] -3.479084800000000e-01 -3.785000000033900e-06 -9.033412887909070e-01 PASS
foss-serial-min: [foss2023b-serial] -3.479084800000000e-01 -3.785000000033900e-06 -9.033412887909070e-01 PASS
foss-opt-full: [foss2023a-serial] -3.479084800000000e-01 -3.785000000033900e-06 -9.033412887909070e-01 PASS
foss-ppc: [foss2022a-serial] -3.479084800000000e-01 -3.785000000033900e-06 -9.033412887909070e-01 PASS
foss-serial-full: [foss2023a-serial] -3.479084800000000e-01 -3.785000000033900e-06 -9.033412887909070e-01 PASS
foss-serial-debug: [foss2023a-serial] -3.479084800000000e-01 -3.785000000033900e-06 -9.033412887909070e-01 PASS
intel_omp_autotools: [intel2023a-serial] -3.479084800000000e-01 -3.785000000033900e-06 -9.033412887909070e-01 PASS
intel_omp_autotools: [intel2022a-serial] -3.479084800000000e-01 -3.785000000033900e-06 -9.033412887909070e-01 PASS
foss-omp-full: [foss2023a-serial] -3.479084800000000e-01 -3.785000000033900e-06 -9.033412887909070e-01 PASS
foss-mpi-full: [foss2023a-mpi] -3.479085000000000e-01 -3.805000000023373e-06 -9.081145584781321e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.479085000000000e-01 -3.805000000023373e-06 -9.081145584781321e-01 PASS
intel-serial: [intel2023a-serial] -3.479084800000000e-01 -3.785000000033900e-06 -9.033412887909070e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -3.479084800000000e-01 -3.785000000033900e-06 -9.033412887909070e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.479084800000000e-01 -3.785000000033900e-06 -9.033412887909070e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -3.479085000000000e-01 -3.805000000023373e-06 -9.081145584781321e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.479085000000000e-01 -3.805000000023373e-06 -9.081145584781321e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -3.479085000000000e-01 -3.805000000023373e-06 -9.081145584781321e-01 PASS
foss-mpi-min: [foss2022a-mpi] -3.479085000000000e-01 -3.805000000023373e-06 -9.081145584781321e-01 PASS
foss-mpi-min: [foss2023a-mpi] -3.479085000000000e-01 -3.805000000023373e-06 -9.081145584781321e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.479085000000000e-01 -3.805000000023373e-06 -9.081145584781321e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -3.479085000000000e-01 -3.805000000023373e-06 -9.081145584781321e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.479085000000000e-01 -3.805000000023373e-06 -9.081145584781321e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.479085000000000e-01 -3.805000000023373e-06 -9.081145584781321e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.479085000000000e-01 -3.805000000023373e-06 -9.081145584781321e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -3.479008700000000e-01 3.825000000012846e-06 9.128878281653571e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] -3.479008900000000e-01 3.804999999967862e-06 9.081145584648835e-01 PASS