Match comparison for Exchange energy (match type 20687)

Commits > Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-7.529513600000000e-01 3.760000000000000e-07 -7.529513639285715e-01 4.883855142817820e-09 -7.529513649999999e-01 5.000000025123796e-09 PASS

Checks for this match

  • MPI builders have different values.
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Detailed information

Reference: -0.75295136, precision: 0.000000376
Run Value Difference Relative difference Status
foss-2022a_ppc -7.529513600000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial_opt -7.529513600000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial_min -7.529513600000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial -7.529513600000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-2022a_opt -7.529513600000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-2022b -7.529513600000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-2022a -7.529513600000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial_omp -7.529513600000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial_debug -7.529513600000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-2022a_omp -7.529513600000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi -7.529513700000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
intel-2022a_omp -7.529513600000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-2022a_impi -7.529513700000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
cmake_foss_2022a_full_mpi -7.529513700000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
spack_foss-2022a_mpi_omp -7.529513700000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
eb_fosscuda-2022a -7.529513600000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_serial -7.529513600000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_serial -7.529513600000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-2022a_mpi_omp -7.529513700000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
cmake_foss_2022a_min_mpi -7.529513700000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
eb_foss-2022a -7.529513600000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_foss-2022b_libxc6 -7.529513600000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-2022a_omp_impi -7.529513700000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
eb_foss-2022a_debug -7.529513600000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_foss-2022a_mpi -7.529513700000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
eb_foss-2022b_libxc6_mpi -7.529513700000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
eb_foss-2022a_mpi_debug -7.529513700000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
intel-2022b_impi -7.529513700000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS