Match comparison for Infrared Intensity (match type 15972)

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Input 04-vib_modes.02-vib_modes.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.046609000000000e-01 1.520000000000000e-06 3.046603000000001e-01 5.551115123125783e-17 3.046603000000000e-01 0.000000000000000e+00 PASS

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Detailed information

Reference: 0.3046609, precision: 0.00000152
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2022a_serial_min 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2022a_serial 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2022a_ppc 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2022a_mpi_min 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
cmake_foss_2022a_full_mpi 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2022a_mpi 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
cmake_foss_2022a_min_serial 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2023a_mpi 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
cmake_foss_2022a_min_mpi 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_intel_autotools: [intel2023a-serial] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2023a_mpi_debug 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2023a_mpi_min 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_autotools: [foss2022a-serial] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_autotools: [foss2023a-serial] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_autotools: [foss2023b-serial] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2023a_serial 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2023a_mpi_opt 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2023a_serial_debug 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2023a_serial_min 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2023a_serial_opt 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2023a_mpi_omp 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2023b_serial 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2023a_serial_omp 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_intel-2023a_serial 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_intel-2022a_serial_omp 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_intel-2023a_serial_omp 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_intel-2023a_impi 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_intel-2022a_impi_omp 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2022a_cuda_mpi_omp 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2023a_valgrind 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss_valgrind_autotools: [foss2023a-serial] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
spack_foss-2022a_cuda_serial 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 3.046603000000000e-01 -6.000000000172534e-07 -3.947368421166141e-01 PASS