Match comparison for Energy [step 20] (libxc5) (match type 28115)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.657643693274203e+01 1.060000000000000e-06 -4.657643789745826e+01 1.679086303647693e-12 -4.657643789745836e+01 1.708855279503041e-12 PASS

Checks for this match

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

Reference: -46.576436932742034, precision: 0.00000106
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -4.657643789745668e+01 -9.647146441693621e-07 -9.101081548767568e-01 PASS
spack_foss-2023a_serial_min -4.657643789745668e+01 -9.647146441693621e-07 -9.101081548767568e-01 PASS
spack_foss-2022a_serial_opt -4.657643789745668e+01 -9.647146441693621e-07 -9.101081548767568e-01 PASS
spack_foss-2022a_serial -4.657643789745668e+01 -9.647146441693621e-07 -9.101081548767568e-01 PASS
spack_foss-2022a_ppc -4.657643789745665e+01 -9.647146157476527e-07 -9.101081280638234e-01 PASS
spack_foss-2022a_mpi_min -4.657643789746005e+01 -9.647180121419296e-07 -9.101113322093676e-01 PASS
spack_foss-2023a_mpi_min -4.657643789746005e+01 -9.647180121419296e-07 -9.101113322093676e-01 PASS
spack_foss-2022a_serial_debug -4.657643789745668e+01 -9.647146441693621e-07 -9.101081548767568e-01 PASS
spack_foss-2022a_mpi_opt -4.657643789746005e+01 -9.647180121419296e-07 -9.101113322093676e-01 PASS
spack_intel-2022a_serial_omp -4.657643789745676e+01 -9.647147223290631e-07 -9.101082286123237e-01 PASS
spack_foss-2022a_mpi -4.657643789746005e+01 -9.647180121419296e-07 -9.101113322093676e-01 PASS
spack_foss-2022a_cuda_serial -4.657643789745665e+01 -9.647146157476527e-07 -9.101081280638234e-01 PASS
spack_intel-2023a_impi -4.657643789746002e+01 -9.647179908256476e-07 -9.101113120996676e-01 PASS
spack_foss-2022a_mpi_debug -4.657643789746005e+01 -9.647180121419296e-07 -9.101113322093676e-01 PASS
spack_intel-2022a_impi_omp -4.657643789746007e+01 -9.647180334582117e-07 -9.101113523190677e-01 PASS