Match comparison for Bond stretch (match type 13545)

Commits > Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 > Input 01-casida.02-vib_modes.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.254405750090000e+03 2.970000000000000e-07 2.254405750286154e+03 1.711427414979351e-08 2.254405750315000e+03 4.499997885432094e-08 PASS

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Detailed information

Reference: 2254.40575009, precision: 0.000000297
Run Value Difference Relative difference Status
foss-2022a_ppc 2.254405750360000e+03 2.700003278732765e-07 9.090920130413351e-01 PASS
cmake_foss_2022a_full_serial 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS
cmake_foss_2022a_min_serial 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS
cmake_foss_2022a_full_mpi 2.254405750280000e+03 1.900002644106280e-07 6.397315300021145e-01 PASS
cmake_foss_2022a_min_mpi 2.254405750270000e+03 1.800003701646347e-07 6.060618524061773e-01 PASS
eb_foss-2022a 2.254405750270000e+03 1.800003701646347e-07 6.060618524061773e-01 PASS
eb_foss-2022a_debug 2.254405750270000e+03 1.800003701646347e-07 6.060618524061773e-01 PASS
eb_fosscuda-2022a 2.254405750280000e+03 1.900002644106280e-07 6.397315300021145e-01 PASS
eb_foss-2022a_mpi 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS
eb_foss-2022b_libxc6 2.254405750270000e+03 1.800003701646347e-07 6.060618524061773e-01 PASS
foss-2022a_opt 2.254405750270000e+03 1.800003701646347e-07 6.060618524061773e-01 PASS
foss-2022a_omp 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS
intel-2022a 2.254405750270000e+03 1.800003701646347e-07 6.060618524061773e-01 PASS
eb_foss-2022b_libxc6_mpi 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS
intel-2022b 2.254405750270000e+03 1.800003701646347e-07 6.060618524061773e-01 PASS
eb_foss-2022a_mpi_debug 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS
spack_foss-2022a_serial 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS
intel-2022a_omp 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
eb_fosscuda-2022a_mpi_omp 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS
spack_foss-2022a_serial_debug 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS
intel-2022a_impi 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS
intel-2022b_impi 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS
foss-2022a_mpi_omp 2.254405750280000e+03 1.900002644106280e-07 6.397315300021145e-01 PASS
spack_foss-2022a_serial_omp 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS
intel-2022a_omp_impi 2.254405750290000e+03 2.000001586566214e-07 6.734012075980517e-01 PASS