Match comparison for Bond stretch (match type 13545)

Commits > Commit bae4500c7a0d1ba65b012093daf21b2d064fac81 > Input 01-casida.02-vib_modes.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.254405750090000e+03 2.970000000000000e-07 2.254405750290000e+03 1.658305141773743e-08 2.254405750315000e+03 3.499985723465215e-08 PASS

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Detailed information

Reference: 2254.40575009, precision: 0.000000297
Run Value Difference Relative difference Status
spack_foss-2023a_serial_min 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS
spack_foss-2022a_serial_min 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS
spack_foss-2022a_serial 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS
spack_foss-2022a_serial_opt 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS
spack_foss-2022a_ppc 2.254405750350000e+03 2.599999788799323e-07 8.754208043095363e-01 PASS
spack_foss-2022a_mpi_min 2.254405750280000e+03 1.900002644106280e-07 6.397315300021145e-01 PASS
spack_foss-2023a_mpi_min 2.254405750280000e+03 1.900002644106280e-07 6.397315300021145e-01 PASS
spack_foss-2022a_serial_debug 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS
spack_foss-2022a_mpi_opt 2.254405750280000e+03 1.900002644106280e-07 6.397315300021145e-01 PASS
spack_intel-2022a_serial_omp 2.254405750300000e+03 2.100000529026147e-07 7.070708851939889e-01 PASS
spack_foss-2022a_mpi 2.254405750280000e+03 1.900002644106280e-07 6.397315300021145e-01 PASS
spack_foss-2022a_cuda_serial 2.254405750280000e+03 1.900002644106280e-07 6.397315300021145e-01 PASS
spack_intel-2023a_impi 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS
spack_foss-2022a_mpi_debug 2.254405750280000e+03 1.900002644106280e-07 6.397315300021145e-01 PASS
spack_foss-2022a_cuda_mpi_omp 2.254405750280000e+03 1.900002644106280e-07 6.397315300021145e-01 PASS
spack_intel-2022a_impi_omp 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS