Match comparison for MVORB HSE06 Fock Correlation (match type 23349)

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Input 03-xc.mvorb_hse06_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.072237000000000e-01 2.180000000000000e-06 -2.072217896000000e-01 7.942191133386980e-08 -2.072217800000000e-01 7.999999999952490e-08 PASS

Checks for this match

  • MPI 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: -0.2072237, precision: 0.00000218
Run Value Difference Relative difference Status
spack_foss-2023a_mpi_debug -2.072217000000000e-01 2.000000000002000e-06 9.174311926614680e-01 PASS
spack_foss-2023a_mpi_omp -2.072217000000000e-01 2.000000000002000e-06 9.174311926614680e-01 PASS
cmake_foss_2022a_min_serial -2.072218600000000e-01 1.840000000002950e-06 8.440366972490598e-01 PASS
cmake_foss_2022a_full_serial -2.072218600000000e-01 1.840000000002950e-06 8.440366972490598e-01 PASS
cmake_foss_2022a_min_mpi -2.072217000000000e-01 2.000000000002000e-06 9.174311926614680e-01 PASS
cmake_foss_2022a_full_mpi -2.072217000000000e-01 2.000000000002000e-06 9.174311926614680e-01 PASS
spack_intel-2023a_serial -2.072218600000000e-01 1.840000000002950e-06 8.440366972490598e-01 PASS
spack_intel-2022a_impi_omp -2.072217000000000e-01 2.000000000002000e-06 9.174311926614680e-01 PASS
spack_intel-2022a_serial_omp -2.072218600000000e-01 1.840000000002950e-06 8.440366972490598e-01 PASS
spack_intel-2023a_serial_omp -2.072218600000000e-01 1.840000000002950e-06 8.440366972490598e-01 PASS
spack_intel-2023a_impi -2.072217000000000e-01 2.000000000002000e-06 9.174311926614680e-01 PASS
spack_foss-2022a_serial_min -2.072218600000000e-01 1.840000000002950e-06 8.440366972490598e-01 PASS
spack_foss-2023a_serial_min -2.072218600000000e-01 1.840000000002950e-06 8.440366972490598e-01 PASS
spack_foss-2022a_serial -2.072218600000000e-01 1.840000000002950e-06 8.440366972490598e-01 PASS
spack_foss-2023a_serial -2.072218600000000e-01 1.840000000002950e-06 8.440366972490598e-01 PASS
spack_foss-2023a_serial_opt -2.072218600000000e-01 1.840000000002950e-06 8.440366972490598e-01 PASS
spack_foss-2023b_serial -2.072218600000000e-01 1.840000000002950e-06 8.440366972490598e-01 PASS
spack_foss-2022a_ppc -2.072218600000000e-01 1.840000000002950e-06 8.440366972490598e-01 PASS
spack_foss-2023a_mpi_min -2.072217000000000e-01 2.000000000002000e-06 9.174311926614680e-01 PASS
spack_foss-2022a_mpi_min -2.072217000000000e-01 2.000000000002000e-06 9.174311926614680e-01 PASS
spack_foss-2023a_serial_omp -2.072218600000000e-01 1.840000000002950e-06 8.440366972490598e-01 PASS
spack_foss-2023a_serial_debug -2.072218600000000e-01 1.840000000002950e-06 8.440366972490598e-01 PASS
spack_foss-2023a_mpi_opt -2.072217000000000e-01 2.000000000002000e-06 9.174311926614680e-01 PASS
spack_foss-2022a_mpi -2.072217000000000e-01 2.000000000002000e-06 9.174311926614680e-01 PASS
spack_foss-2023a_mpi -2.072217000000000e-01 2.000000000002000e-06 9.174311926614680e-01 PASS