Match comparison for Polarizability XX w=0.1 (match type 17684)

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.594663100000000e+01 7.970000000000000e-06 1.594662900000000e+01 1.776356839400250e-15 1.594662900000000e+01 0.000000000000000e+00 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: 15.946631, precision: 0.00000797
Run Value Difference Relative difference Status
GCI_foss_min_autotools: [foss2023a-serial] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
cmake_foss_2022a_full_serial 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_autotools: [foss2022a-serial] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_autotools: [foss2023b-serial] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2023a_serial_min 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2022a_serial_min 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2022a_ppc 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2022a_serial 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2023a_serial 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
cmake_foss_2022a_min_mpi 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2022a_mpi_min 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2023a_mpi_min 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
cmake_foss_2022a_full_mpi 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
cmake_foss_2022a_min_serial 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2023a_mpi_opt 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2023a_serial_debug 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2022a_mpi 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2023a_mpi 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2023a_mpi_debug 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2023a_mpi_omp 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_autotools: [foss2023a-serial] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2022a_cuda_mpi_omp 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_intel_autotools: [intel2023a-serial] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2023a_serial_opt 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2023a_serial_omp 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2023b_serial 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_intel-2023a_serial 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_intel-2022a_serial_omp 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_intel-2023a_serial_omp 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_intel-2023a_impi 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_intel-2022a_impi_omp 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2022a_cuda_serial 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
spack_foss-2023a_valgrind 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS
GCI_foss_valgrind_autotools: [foss2023a-serial] 1.594662900000000e+01 -2.000000000279556e-06 -2.509410288932943e-01 PASS