Match comparison for External energy (match type 29752)

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Input 10-fullerene.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.092410580990000e+03 2.600000000000000e-06 -8.092410581143334e+03 1.997962240787684e-07 -8.092410580990000e+03 4.499997885432094e-07 PASS
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Detailed information

Reference: -8092.41058099, precision: 0.0000026
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -8.092410581090000e+03 -9.999985195463523e-08 -3.846148152101355e-02 PASS
spack_foss-2022a_ppc -8.092410581080000e+03 -8.999995770864189e-08 -3.461536834947765e-02 PASS
cmake_foss_2022a_min_serial -8.092410581090000e+03 -9.999985195463523e-08 -3.846148152101355e-02 PASS
cmake_foss_2022a_min_mpi -8.092410580560000e+03 4.300000000512227e-07 1.653846154043164e-01 PASS
cmake_foss_2022a_full_mpi -8.092410581120000e+03 -1.299995346926153e-07 -4.999982103562126e-02 PASS
spack_foss-2022a_mpi_min -8.092410581100000e+03 -1.099997462006286e-07 -4.230759469254945e-02 PASS
spack_foss-2022a_mpi -8.092410581100000e+03 -1.099997462006286e-07 -4.230759469254945e-02 PASS
spack_foss-2022a_serial -8.092410581310000e+03 -3.200002538505942e-07 -1.230770207117670e-01 PASS
spack_foss-2022a_serial_min -8.092410581310000e+03 -3.200002538505942e-07 -1.230770207117670e-01 PASS
spack_foss-2023a_mpi -8.092410581110000e+03 -1.199996404466219e-07 -4.615370786408535e-02 PASS
spack_foss-2023a_mpi_min -8.092410581100000e+03 -1.099997462006286e-07 -4.230759469254945e-02 PASS
spack_foss-2023a_serial_min -8.092410581310000e+03 -3.200002538505942e-07 -1.230770207117670e-01 PASS
spack_foss-2023a_serial -8.092410581310000e+03 -3.200002538505942e-07 -1.230770207117670e-01 PASS
spack_foss-2023a_mpi_opt -8.092410581350000e+03 -3.599998308345675e-07 -1.384614733979106e-01 PASS
spack_foss-2023a_mpi_debug -8.092410581330000e+03 -3.400000423425809e-07 -1.307692470548388e-01 PASS
spack_foss-2023a_serial_opt -8.092410581090000e+03 -9.999985195463523e-08 -3.846148152101355e-02 PASS
spack_foss-2023b_serial -8.092410581310000e+03 -3.200002538505942e-07 -1.230770207117670e-01 PASS
spack_foss-2023a_serial_debug -8.092410581310000e+03 -3.200002538505942e-07 -1.230770207117670e-01 PASS
spack_foss-2023a_serial_omp -8.092410581120000e+03 -1.299995346926153e-07 -4.999982103562126e-02 PASS
spack_intel-2022a_serial_omp -8.092410580540000e+03 4.499997885432094e-07 1.730768417473882e-01 PASS
spack_foss-2023a_mpi_omp -8.092410581100000e+03 -1.099997462006286e-07 -4.230759469254945e-02 PASS
spack_intel-2023a_serial -8.092410581260000e+03 -2.699998731259257e-07 -1.038461050484329e-01 PASS
spack_intel-2023a_impi -8.092410581100000e+03 -1.099997462006286e-07 -4.230759469254945e-02 PASS
spack_foss-2022a_cuda_mpi_omp -8.092410581110000e+03 -1.199996404466219e-07 -4.615370786408535e-02 PASS
spack_intel-2023a_serial_omp -8.092410581440000e+03 -4.499997885432094e-07 -1.730768417473882e-01 PASS
spack_intel-2022a_impi_omp -8.092410581100000e+03 -1.099997462006286e-07 -4.230759469254945e-02 PASS
spack_foss-2022a_cuda_serial -8.092410581120000e+03 -1.299995346926153e-07 -4.999982103562126e-02 PASS