Match comparison for Energy [step 1] (libxc5) (match type 28111)

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Input 07-mgga.03-tb09_td.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.647906570762484e+01 1.060000000000000e-01 -4.657566324809462e+01 1.646642995672998e-12 -4.657566324809473e+01 1.680433570072637e-12 PASS

Checks for this match

  • MPI builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: -46.47906570762484, precision: 0.106
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -4.657566324809309e+01 -9.659754046825242e-02 -9.112975515872870e-01 PASS
spack_foss-2023a_serial_min -4.657566324809309e+01 -9.659754046825242e-02 -9.112975515872870e-01 PASS
spack_foss-2022a_serial_opt -4.657566324809309e+01 -9.659754046825242e-02 -9.112975515872870e-01 PASS
spack_foss-2022a_serial -4.657566324809309e+01 -9.659754046825242e-02 -9.112975515872870e-01 PASS
spack_foss-2022a_ppc -4.657566324809305e+01 -9.659754046820979e-02 -9.112975515868847e-01 PASS
spack_foss-2022a_mpi_min -4.657566324809638e+01 -9.659754047154223e-02 -9.112975516183229e-01 PASS
spack_foss-2023a_mpi_min -4.657566324809638e+01 -9.659754047154223e-02 -9.112975516183229e-01 PASS
spack_foss-2022a_serial_debug -4.657566324809309e+01 -9.659754046825242e-02 -9.112975515872870e-01 PASS
spack_foss-2022a_mpi_opt -4.657566324809638e+01 -9.659754047154223e-02 -9.112975516183229e-01 PASS
spack_intel-2022a_serial_omp -4.657566324809309e+01 -9.659754046824531e-02 -9.112975515872199e-01 PASS
spack_foss-2022a_mpi -4.657566324809638e+01 -9.659754047154223e-02 -9.112975516183229e-01 PASS
spack_foss-2022a_cuda_serial -4.657566324809306e+01 -9.659754046821689e-02 -9.112975515869518e-01 PASS
spack_intel-2023a_impi -4.657566324809635e+01 -9.659754047151381e-02 -9.112975516180548e-01 PASS
spack_foss-2022a_mpi_debug -4.657566324809638e+01 -9.659754047154223e-02 -9.112975516183229e-01 PASS
spack_intel-2022a_impi_omp -4.657566324809641e+01 -9.659754047157065e-02 -9.112975516185911e-01 PASS