Match comparison for Total energy (match type 22772)

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Input 08-benzene_supercell.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.707734111000000e+01 1.850000000000000e-07 -3.707734110785714e+01 7.726181943833216e-09 -3.707734109499999e+01 1.500000124110556e-08 PASS

Checks for this match

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

Reference: -37.07734111, precision: 0.000000185
Run Value Difference Relative difference Status
spack_foss-2022a_ppc -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_mpi -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_serial -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_serial -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_debug -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_mpi -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial_min -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi_min -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_min -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_opt -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_min -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_debug -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_mpi_omp -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_opt -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_omp -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_serial -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_omp -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023b_serial -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_serial_omp -3.707734108000000e+01 3.000000248221113e-08 1.621621755795196e-01 PASS
spack_intel-2023a_serial_omp -3.707734108000000e+01 3.000000248221113e-08 1.621621755795196e-01 PASS
spack_intel-2023a_impi -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_impi_omp -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_valgrind -3.707734111000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS