Match comparison for External energy (match type 12859)

Commits > Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-5.378242078000000e+01 3.030000000000000e-07 -5.378242073692307e+01 2.766665461667391e-07 -5.378242078000000e+01 2.799999982983081e-07 PASS

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  • MPI builders have different values.
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Detailed information

Reference: -53.782420779999995, precision: 0.000000303
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -5.378242050000000e+01 2.799999947455944e-07 9.240923918996516e-01 PASS
spack_foss-2023a_serial_min -5.378242050000000e+01 2.799999947455944e-07 9.240923918996516e-01 PASS
spack_foss-2022a_serial -5.378242050000000e+01 2.799999947455944e-07 9.240923918996516e-01 PASS
spack_foss-2023a_serial_opt -5.378242050000000e+01 2.799999947455944e-07 9.240923918996516e-01 PASS
spack_foss-2023a_serial -5.378242050000000e+01 2.799999947455944e-07 9.240923918996516e-01 PASS
spack_foss-2023b_serial -5.378242050000000e+01 2.799999947455944e-07 9.240923918996516e-01 PASS
spack_foss-2022a_ppc -5.378242050000000e+01 2.799999947455944e-07 9.240923918996516e-01 PASS
spack_foss-2023a_mpi_min -5.378242106000000e+01 -2.800000018510218e-07 -9.240924153499069e-01 PASS
spack_foss-2022a_mpi_min -5.378242106000000e+01 -2.800000018510218e-07 -9.240924153499069e-01 PASS
spack_foss-2023a_serial_omp -5.378242050000000e+01 2.799999947455944e-07 9.240923918996516e-01 PASS
spack_foss-2023a_serial_debug -5.378242050000000e+01 2.799999947455944e-07 9.240923918996516e-01 PASS
cmake_foss_2022a_full_mpi -5.378242106000000e+01 -2.800000018510218e-07 -9.240924153499069e-01 PASS
spack_foss-2023a_mpi_opt -5.378242106000000e+01 -2.800000018510218e-07 -9.240924153499069e-01 PASS
spack_foss-2022a_cuda_serial -5.378242050000000e+01 2.799999947455944e-07 9.240923918996516e-01 PASS
spack_foss-2022a_mpi -5.378242106000000e+01 -2.800000018510218e-07 -9.240924153499069e-01 PASS
spack_foss-2023a_mpi -5.378242106000000e+01 -2.800000018510218e-07 -9.240924153499069e-01 PASS
spack_foss-2023a_mpi_debug -5.378242106000000e+01 -2.800000018510218e-07 -9.240924153499069e-01 PASS
spack_foss-2023a_mpi_omp -5.378242106000000e+01 -2.800000018510218e-07 -9.240924153499069e-01 PASS
cmake_foss_2022a_full_serial -5.378242050000000e+01 2.799999947455944e-07 9.240923918996516e-01 PASS
cmake_foss_2022a_min_serial -5.378242050000000e+01 2.799999947455944e-07 9.240923918996516e-01 PASS
cmake_foss_2022a_min_mpi -5.378242106000000e+01 -2.800000018510218e-07 -9.240924153499069e-01 PASS
spack_intel-2023a_serial -5.378242050000000e+01 2.799999947455944e-07 9.240923918996516e-01 PASS
spack_intel-2022a_serial_omp -5.378242050000000e+01 2.799999947455944e-07 9.240923918996516e-01 PASS
spack_intel-2023a_serial_omp -5.378242050000000e+01 2.799999947455944e-07 9.240923918996516e-01 PASS
spack_intel-2023a_impi -5.378242106000000e+01 -2.800000018510218e-07 -9.240924153499069e-01 PASS
spack_intel-2022a_impi_omp -5.378242106000000e+01 -2.800000018510218e-07 -9.240924153499069e-01 PASS