Match comparison for Hartree energy (match type 22511)

Commits > Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac > Input 07-mgga.04-br89_gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.246899420000000e+00 2.120000000000000e-07 4.246899304615384e+00 2.307692310747729e-08 4.246899360000000e+00 6.000000007944095e-08 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.
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: 4.24689942, precision: 0.000000212
Run Value Difference Relative difference Status
spack_foss-2022a_ppc 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
cmake_foss_2022a_full_serial 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
cmake_foss_2022a_min_serial 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
cmake_foss_2022a_min_mpi 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
cmake_foss_2022a_full_mpi 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_intel-2022a_serial_omp 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_foss-2022a_cuda_serial 4.246899420000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi_min 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_foss-2022a_serial 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_foss-2022a_mpi 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_foss-2022a_serial_min 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_foss-2023a_mpi 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_foss-2023a_mpi_min 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_foss-2023a_serial 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_foss-2023a_serial_min 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_foss-2023a_serial_opt 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_foss-2023a_mpi_opt 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_foss-2023a_serial_debug 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_foss-2023a_serial_omp 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_foss-2023a_mpi_debug 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_foss-2023b_serial 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_foss-2023a_mpi_omp 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_intel-2023a_serial 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_intel-2023a_serial_omp 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_intel-2023a_impi 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS
spack_intel-2022a_impi_omp 4.246899300000000e+00 -1.200000001588819e-07 -5.660377365984995e-01 PASS