Match comparison for Polarizability ZZ w=0.1 (match type 17726)

Commits > Commit 0043f87fd1086e2efddabd576c31b5184d964264 > Input 02-h2o_pol_lr.05_h2o_magn_opt.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.946294600000000e+01 1.470000000000000e-05 2.946294600000000e+01 3.552713678800501e-15 2.946294600000000e+01 0.000000000000000e+00 PASS
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Detailed information

Reference: 29.462946000000002, precision: 0.0000147
Run Value Difference Relative difference Status
spack_foss-2022a_ppc 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
cmake_foss_2022a_full_serial 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
cmake_foss_2022a_min_serial 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
cmake_foss_2022a_full_mpi 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
cmake_foss_2022a_min_mpi 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_foss-2022a_cuda_mpi_omp 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_foss-2022a_mpi 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_foss-2022a_serial_min 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_foss-2022a_serial 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_foss-2022a_mpi_min 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_foss-2023a_mpi_min 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_foss-2023a_mpi 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_foss-2022a_cuda_serial 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_foss-2023a_serial 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_foss-2023a_mpi_opt 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_foss-2023a_serial_min 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_foss-2023a_serial_opt 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_foss-2023a_mpi_debug 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_intel-2023a_impi 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_foss-2023a_serial_debug 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_foss-2023a_serial_omp 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_foss-2023a_mpi_omp 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_foss-2023b_serial 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_intel-2023a_serial 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_intel-2022a_serial_omp 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_intel-2023a_serial_omp 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_foss-2023a_valgrind 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS
spack_intel-2022a_impi_omp 2.946294600000000e+01 -3.552713678800501e-15 -2.416812026394899e-10 PASS