Match comparison for External energy (match type 23494)

Commits > Commit babc485c55a2119a415aa56305cb49f398154cb7 > Input 10-fullerene.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.092408370780000e+03 5.170000000000000e-07 -8.092408370573683e+03 1.623904104713356e-07 -8.092408370560000e+03 2.500000846339390e-07 PASS

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Detailed information

Reference: -8092.40837078, precision: 0.000000517
Run Value Difference Relative difference Status
spack_foss-2022a_ppc -8.092408370810000e+03 -2.999968273798004e-08 -5.802646564406197e-02 PASS
spack_foss-2022a_cuda_serial -8.092408370650000e+03 1.300004441873170e-07 2.514515361456809e-01 PASS
spack_foss-2022a_serial -8.092408370310000e+03 4.700004865298979e-07 9.090918501545414e-01 PASS
spack_foss-2022a_mpi -8.092408370650000e+03 1.300004441873170e-07 2.514515361456809e-01 PASS
spack_foss-2022a_serial_min -8.092408370310000e+03 4.700004865298979e-07 9.090918501545414e-01 PASS
spack_foss-2022a_mpi_min -8.092408370650000e+03 1.300004441873170e-07 2.514515361456809e-01 PASS
spack_foss-2022a_mpi_opt -8.092408370650000e+03 1.300004441873170e-07 2.514515361456809e-01 PASS
spack_foss-2022a_serial_opt -8.092408370740000e+03 4.000048647867516e-08 7.737038003612216e-02 PASS
spack_foss-2022a_serial_debug -8.092408370310000e+03 4.700004865298979e-07 9.090918501545414e-01 PASS
spack_foss-2023a_serial -8.092408370310000e+03 4.700004865298979e-07 9.090918501545414e-01 PASS
spack_foss-2022a_cuda_mpi_omp -8.092408370650000e+03 1.300004441873170e-07 2.514515361456809e-01 PASS
spack_foss-2023a_serial_omp -8.092408370650000e+03 1.300004441873170e-07 2.514515361456809e-01 PASS
spack_foss-2022a_mpi_debug -8.092408370650000e+03 1.300004441873170e-07 2.514515361456809e-01 PASS
spack_foss-2023a_serial_min -8.092408370310000e+03 4.700004865298979e-07 9.090918501545414e-01 PASS
spack_intel-2022a_serial_omp -8.092408370650000e+03 1.300004441873170e-07 2.514515361456809e-01 PASS
spack_intel-2023a_serial -8.092408370650000e+03 1.300004441873170e-07 2.514515361456809e-01 PASS
spack_intel-2023a_serial_omp -8.092408370650000e+03 1.300004441873170e-07 2.514515361456809e-01 PASS
spack_intel-2023a_impi -8.092408370650000e+03 1.300004441873170e-07 2.514515361456809e-01 PASS
spack_intel-2022a_impi_omp -8.092408370650000e+03 1.300004441873170e-07 2.514515361456809e-01 PASS