Match comparison for Exchange energy (match type 11801)

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Input 16-scfinlcao_std.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.627909701300000e+02 1.310000000000000e-07 -2.627909701500000e+02 0.000000000000000e+00 -2.627909701500000e+02 0.000000000000000e+00 PASS

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Detailed information

Reference: -262.79097013, precision: 0.000000131
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_foss-2023a_serial_min -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_foss-2022a_serial -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_foss-2023a_serial -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
cmake_foss_2022a_full_serial -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_foss-2022a_ppc -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_foss-2023a_mpi_min -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_foss-2022a_mpi_min -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
cmake_foss_2022a_full_mpi -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_foss-2023a_serial_debug -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_foss-2023a_mpi_opt -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_foss-2022a_mpi -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_foss-2023a_mpi -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_foss-2022a_cuda_serial -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
cmake_foss_2022a_min_mpi -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_foss-2023a_mpi_debug -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_foss-2023a_mpi_omp -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_foss-2022a_cuda_mpi_omp -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
cmake_foss_2022a_min_serial -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_foss-2023a_serial_opt -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_foss-2023b_serial -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_foss-2023a_serial_omp -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_intel-2023a_serial -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_intel-2022a_serial_omp -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_intel-2023a_serial_omp -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_intel-2023a_impi -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS
spack_intel-2022a_impi_omp -2.627909701500000e+02 -2.000001586566214e-08 -1.526718768371155e-01 PASS