Match comparison for External energy (match type 22515)

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Input 07-mgga.04-br89_gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.834239350000000e+01 4.400000000000000e-07 -2.834239332192308e+01 8.204216731069483e-08 -2.834239350500000e+01 2.250000008530151e-07 PASS

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Detailed information

Reference: -28.3423935, precision: 0.00000044
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -2.834239331000000e+01 1.900000015098158e-07 4.318181852495813e-01 PASS
cmake_foss_2022a_full_serial -2.834239331000000e+01 1.900000015098158e-07 4.318181852495813e-01 PASS
spack_foss-2022a_serial -2.834239331000000e+01 1.900000015098158e-07 4.318181852495813e-01 PASS
spack_foss-2022a_ppc -2.834239331000000e+01 1.900000015098158e-07 4.318181852495813e-01 PASS
spack_foss-2023a_mpi_min -2.834239331000000e+01 1.900000015098158e-07 4.318181852495813e-01 PASS
cmake_foss_2022a_min_serial -2.834239331000000e+01 1.900000015098158e-07 4.318181852495813e-01 PASS
spack_foss-2022a_mpi_min -2.834239331000000e+01 1.900000015098158e-07 4.318181852495813e-01 PASS
spack_foss-2023a_mpi -2.834239331000000e+01 1.900000015098158e-07 4.318181852495813e-01 PASS
cmake_foss_2022a_full_mpi -2.834239331000000e+01 1.900000015098158e-07 4.318181852495813e-01 PASS
spack_foss-2022a_mpi -2.834239331000000e+01 1.900000015098158e-07 4.318181852495813e-01 PASS
cmake_foss_2022a_min_mpi -2.834239331000000e+01 1.900000015098158e-07 4.318181852495813e-01 PASS
spack_foss-2023a_mpi_debug -2.834239331000000e+01 1.900000015098158e-07 4.318181852495813e-01 PASS
spack_foss-2023a_serial -2.834239331000000e+01 1.900000015098158e-07 4.318181852495813e-01 PASS
spack_foss-2023a_mpi_opt -2.834239331000000e+01 1.900000015098158e-07 4.318181852495813e-01 PASS
spack_foss-2022a_cuda_serial -2.834239373000000e+01 -2.300000012667169e-07 -5.227272756061748e-01 PASS
spack_foss-2023a_serial_debug -2.834239331000000e+01 1.900000015098158e-07 4.318181852495813e-01 PASS
spack_foss-2023a_serial_min -2.834239331000000e+01 1.900000015098158e-07 4.318181852495813e-01 PASS
spack_foss-2023a_serial_opt -2.834239331000000e+01 1.900000015098158e-07 4.318181852495813e-01 PASS
spack_foss-2023a_mpi_omp -2.834239330000000e+01 1.999999987845058e-07 4.545454517829677e-01 PASS
spack_foss-2023b_serial -2.834239331000000e+01 1.900000015098158e-07 4.318181852495813e-01 PASS
spack_foss-2023a_serial_omp -2.834239330000000e+01 1.999999987845058e-07 4.545454517829677e-01 PASS
spack_intel-2023a_serial -2.834239328000000e+01 2.200000004393132e-07 5.000000009984391e-01 PASS
spack_intel-2022a_serial_omp -2.834239330000000e+01 1.999999987845058e-07 4.545454517829677e-01 PASS
spack_intel-2023a_serial_omp -2.834239330000000e+01 1.999999987845058e-07 4.545454517829677e-01 PASS
spack_intel-2023a_impi -2.834239328000000e+01 2.200000004393132e-07 5.000000009984391e-01 PASS
spack_intel-2022a_impi_omp -2.834239330000000e+01 1.999999987845058e-07 4.545454517829677e-01 PASS