Match comparison for External energy (match type 22778)

Commits > Commit c18e6529b073b7f96582e125ea28d09e3ac5067c > Input 08-benzene_supercell.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.722519600999999e+01 4.360000000000000e-07 -8.722519601000003e+01 2.842170943040401e-14 -8.722519601000000e+01 0.000000000000000e+00 PASS
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Detailed information

Reference: -87.22519600999999, precision: 0.000000436
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_foss-2023a_serial_opt -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_foss-2023a_serial_min -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_foss-2022a_serial -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_foss-2023a_serial -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_foss-2023b_serial -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_foss-2022a_ppc -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_foss-2022a_cuda_serial -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_foss-2023a_mpi_min -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_foss-2022a_mpi_min -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_foss-2023a_serial_omp -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_foss-2023a_serial_debug -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_foss-2023a_mpi_opt -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_foss-2022a_mpi -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_foss-2023a_mpi -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_foss-2022a_cuda_mpi_omp -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_foss-2023a_mpi_debug -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_foss-2023a_mpi_omp -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
cmake_foss_2022a_full_serial -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
cmake_foss_2022a_min_serial -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_intel-2023a_serial -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
cmake_foss_2022a_min_mpi -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
cmake_foss_2022a_full_mpi -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_intel-2022a_impi_omp -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_intel-2022a_serial_omp -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_intel-2023a_serial_omp -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_intel-2023a_impi -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS
spack_foss-2023a_valgrind -8.722519601000000e+01 -1.421085471520200e-14 -3.259370347523395e-08 PASS